SCHEMBL30480871

SCHEMBL30480871

O=C1CSc2cc(Cl)ncc2N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.47
MAOA P21397 10/20 0.47
EPHX2 P34913 1/20 0.47
HTT P42858 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL10511911 0.74 MAOA (0.53) MAOBMAOAEPHX2HTTCYP11B1
SCHEMBL25766709 0.73 KDM4E (0.32) KMT2AALDH1A1
SCHEMBL13771103 0.72 EPHX2 (0.56) MAOBMAOAEPHX2HTTCYP11B1
SCHEMBL29435574 0.71 AHR (0.53) MAOBEPHX2CYP11B1CYP11B2PDE3B
SCHEMBL8653630 0.71 AHR (0.53) MAOBEPHX2CYP11B1CYP11B2PDE3B
SCHEMBL4219649 0.71 MAOB (0.64) MAOBMAOAEPHX2HTTCYP11B1
SCHEMBL8340212 0.71 PDE3B (0.42) MAOBMAOAEPHX2HTTCYP11B1
SCHEMBL2123339 0.71 MAOA (0.41) MAOBMAOAEPHX2HTTCYP11B1
SCHEMBL25208436 0.70 CYP11B1 (0.43) MAOBMAOAHTTCYP11B1CYP11B2
SCHEMBL4102942 0.70 CYP11B1 (0.56) MAOBMAOAEPHX2HTTCYP11B1

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
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed