SCHEMBL7014395

SCHEMBL7014395

Cc1ccc2nc(-c3ccccc3Br)n(C)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDO2 P48775 3/20 0.46
IDO2 Q6ZQW0 3/20 0.46
CASR P41180 1/20 0.44
C1R P00736 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.41
POLB P06746 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
SCHEMBL31277167 0.81 PARG (0.56) KMT2AMEN1KDM4EATMSMN1; SMN2
SCHEMBL7017060 0.81 CASR (0.42) TDO2IDO2CASRC1RKDM4E
SCHEMBL22509709 0.75 KDM4E (0.63) KMT2AKDM4ESMN1; SMN2POLB
SCHEMBL7602321 0.75 POLB (0.57) KDM4ESMN1; SMN2POLB
SCHEMBL30669482 0.74 POLB (0.48) KMT2AMEN1TDO2IDO2CASR
SCHEMBL9101181 0.74 TDO2 (0.74) KMT2AMEN1TDO2IDO2IDO1
SCHEMBL30669485 0.73 ALDH1A1 (0.52) KMT2AMEN1KDM4EATMSMN1; SMN2
SCHEMBL22720142 0.73 KDM4E (0.57) KMT2AMEN1TDO2IDO2KDM4E
SCHEMBL7012552 0.73 TUBB4A (0.52) KDM4ESMN1; SMN2
SCHEMBL11098025 0.72 ALDH1A1 (0.53) KMT2AMEN1KDM4ESMN1; SMN2POLB

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
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed