SCHEMBL11015631

SCHEMBL11015631

Cc1cc(C)nc(CCn2ccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PRKCI P41743 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ QPCT Q16769 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL11006560 0.78 POLB (0.52) KMT2ACYP11B1CYP11B2MEN1PRKCI
SCHEMBL11006343 0.78 KMT2A (0.48) KMT2ACYP11B1CYP11B2MEN1ALDH1A1
SCHEMBL10144472 0.71 NOS2 (0.52) —
SCHEMBL6987156 0.70 CYP19A1 (0.69) KMT2ACYP11B1CYP11B2PRKCIQPCT
SCHEMBL6987181 0.69 CYP11B1 (0.72) KMT2ACYP11B1CYP11B2MEN1POLB
SCHEMBL11829782 0.68 NOS2 (0.64) —
SCHEMBL19361231 0.68 TBXAS1 (0.44) KMT2APRKCITBXAS1CYP19A1
SCHEMBL11699836 0.66 NOS2 (0.42) KMT2AMEN1
SCHEMBL9427715 0.66 NOS2 (0.47) —
SCHEMBL4773938 0.66 TBXAS1 (0.75) CYP11B1CYP11B2ALDH1A1PRKCITBXAS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 — — US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 — — EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 — — US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 — — EP disclosed
Send feedback