SCHEMBL10648303

SCHEMBL10648303

CC(=O)Oc1cccc(Cn2c(S)nnc2CN2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FAAH O00519 1/20 0.37

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
SCHEMBL10646620 0.86 SIGMAR1 (0.54) MEN1KMT2ASIGMAR1KDM4EALDH1A1
SCHEMBL10668329 0.82 BRD4 (0.45) AVPR1AKDM4EALDH1A1BRD4GAA
SCHEMBL10671837 0.80 BRD4 (0.46) MEN1KMT2AAVPR1AALDH1A1BRD4
SCHEMBL10671525 0.79 SMN1; SMN2 (0.47) MEN1KMT2ASIGMAR1AVPR1AKDM4E
SCHEMBL10649474 0.79 ALDH1A1 (0.47) MEN1KMT2AAVPR1AALDH1A1BRD4
SCHEMBL10648058 0.79 MC4R (0.59) MEN1KMT2ASIGMAR1AVPR1AALDH1A1
SCHEMBL10650122 0.77 KDM4E (0.50) MEN1KMT2AAVPR1AKDM4EALDH1A1
SCHEMBL10671068 0.77 HRH3 (0.44) AVPR1AALDH1A1BRD4FAAH
SCHEMBL10651709 0.75 LMNA (0.44) AVPR1AKDM4EALDH1A1LMNA
SCHEMBL9685664 0.73 HRH2 (0.57) MEN1KMT2AATMSIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261804-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-30 — — EP disclosed
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