SCHEMBL7465815

SCHEMBL7465815

Cc1ccc2c(c1)OC(CCOc1ccc(CCNC(=N)N)cc1)C(=O)N2Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 5/20 0.38
THRB P10828 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XIAP P98170 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL8603405 0.92 TSHR (0.42) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8604688 0.91 GSK3B (0.40) TSHRLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7469178 0.90 LMNA (0.42) TSHRLMNAMAPK1USP2ATM
SCHEMBL8551402 0.89 MEN1 (0.39) TSHRLMNAMAPK1NPSR1ALDH1A1
SCHEMBL8551162 0.89 TSHR (0.39) TSHRLMNAMAPK1USP2ATM
Hydrochloric Acid SCHEMBL8602861 0.89 MEN1 (0.39) LMNAMAPK1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL8554377 0.88 LMNA (0.37) TSHRLMNAMAPK1USP2ATM
SCHEMBL8558097 0.87 KMT2A (0.37) TSHRLMNASMN1; SMN2MAPTTP53
SCHEMBL8602448 0.86 HIF1A (0.39) TSHRLMNAMAPK1USP2ATM
SCHEMBL8603746 0.86 LMNA (0.36) TSHRLMNAMAPK1USP2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP claimed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP claimed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO claimed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed