SCHEMBL6996470

SCHEMBL6996470

CC1=C(N)Nc2cc(C(N)C(=O)OC(C)(C)CCc3c(F)cccc3Cl)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 2/20 0.30
ALOX5 P09917 1/20 0.30
TSHR P16473 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
SCHEMBL6991202 0.87 ALOX5 (0.33) KMT2AALOX5
SCHEMBL6990231 0.87 ALOX5 (0.33) ALDH1A1KDM4EALOX5
SCHEMBL7001571 0.84 GRM2 (0.34) ALDH1A1KMT2ASMN1; SMN2LMNAALOX5
SCHEMBL6994386 0.84 ALOX5 (0.31) MAPTKDM4EALOX5
SCHEMBL7001710 0.83 FFAR1 (0.32) SMN1; SMN2LMNATSHR
SCHEMBL7001925 0.83 SMYD3 (0.36) ALDH1A1MAPTDAOTSHR
SCHEMBL7002397 0.83 ALOX5 (0.31) ALOX5
SCHEMBL7002041 0.83 CYP3A4 (0.39) ALDH1A1LMNAKDM4EALOX5
SCHEMBL8137237 0.83 ALOX5 (0.35) ALOX5
SCHEMBL6993987 0.83 IDO1 (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
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