SCHEMBL8113447

SCHEMBL8113447

CC1=C(N)Nc2cc(C(=O)CCl)ccc2O1.CCC(O)c1ccc2c(c1)NC(N)=C(C)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX5 P09917 4/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
NEK2 P51955 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6996806 0.88 ALDH1A1 (0.53) ALDH1A1MAPTATMRXFP1ALOX5
SCHEMBL7001031 0.87 LMNA (0.34) ALOX5
SCHEMBL6999811 0.81 ATM (0.47) ALDH1A1MAPTATMRXFP1ALOX5
SCHEMBL7002378 0.74 PKM (0.47) ALDH1A1MAPTALOX5KDM4ESMN1; SMN2
SCHEMBL6996657 0.73 SLC6A4 (0.35)
SCHEMBL6996551 0.71 ALDH1A1 (0.45) ALDH1A1MAPTRXFP1ALOX5KDM4E
SCHEMBL1928583 0.67 ALOX5 (0.68) ALDH1A1MAPTALOX5KDM4EHTR7
SCHEMBL5670589 0.64 AHR (0.39) ALDH1A1MAPTSMN1; SMN2HTR7HTR2B
Hydrochloric Acid SCHEMBL5672533 0.63 AHR (0.38) MAPTSMN1; SMN2HTR7HTR2BALOX15
SCHEMBL7710980 0.63 ALDH1A1 (0.52) ALDH1A1MAPTATMRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed