SCHEMBL11084608

SCHEMBL11084608

Cc1cc(C)c(Cn2ccnc2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 1.00
CYP11B2 P19099 7/20 1.00
CYP19A1 P11511 2/20 0.56
KMT2A Q03164 2/20 0.55
ATM Q13315 1/20 0.52
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TBXAS1 P24557 1/20 0.46
QPCT Q16769 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
QPCTL Q9NXS2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16672961 0.85 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1KMT2AKDM4E
SCHEMBL15722807 0.80 CYP11B1 (0.88) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL395505 0.80 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL13105237 0.80 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL15872000 0.79 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL28975968 0.79 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL23045637 0.78 CYP11B1 (0.64) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL5489431 0.76 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11245838 0.76 CYP11B1 (0.60) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL16257971 0.74 CYP11B1 (0.82) CYP11B1CYP11B2CYP19A1CYP1A2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850345-A Quinoline functional nitrogen heterocyclic carbene ruthenium complex with multiple anti-cancer activities and preparation method thereof 浙江树人学院 2023-03-28 CN claimed
US-4405634-A Imidazole derivatives for treating myocardial infarction BURROUGHS WELLCOME CO. (US) 1983-09-20 US claimed
US-4396771-A THROMBOEMBOLIC DISORDERS, SHOCK BURROUGHS WELLCOME CO. (US) 1983-08-02 US claimed
US-4357340-A Imidazole derivatives and angina pectoris BURROUGHS WELLCOME CO. (US) 1982-11-02 US claimed
CN-115850345-A Quinoline functional nitrogen heterocyclic carbene ruthenium complex with multiple anti-cancer activities and preparation method thereof 浙江树人学院 2023-03-28 CN disclosed
CN-106478734-B A kind of N-heterocyclic carbine ruthenium compound and its preparation method and application of the pyrazoles function dough with active anticancer 浙江大学 2018-10-30 CN disclosed
CN-106478734-A A kind of have N-heterocyclic carbine ruthenium compound of pyrazoles sense dough of active anticancer and its preparation method and application 浙江大学 2017-03-08 CN disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 US disclosed
US-4425354-A CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1984-01-10 US disclosed
EP-0003732-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1983-10-19 EP disclosed
US-4405634-A Imidazole derivatives for treating myocardial infarction BURROUGHS WELLCOME CO. (US) 1983-09-20 US disclosed
US-4396771-A THROMBOEMBOLIC DISORDERS, SHOCK BURROUGHS WELLCOME CO. (US) 1983-08-02 US disclosed
US-4357340-A Imidazole derivatives and angina pectoris BURROUGHS WELLCOME CO. (US) 1982-11-02 US disclosed
EP-0003732-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1979-09-05 EP disclosed