SCHEMBL7472445

SCHEMBL7472445

O=C1C(CCO)Oc2ccccc2N1Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PPARG P37231 3/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ADK P55263 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7465025 0.87 TSHR (0.55) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7476860 0.84 TSHR (0.64) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7470492 0.81 TSHR (0.53) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7473140 0.81 TSHR (0.50) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7477205 0.81 KMT2A (0.67) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7476552 0.80 GSK3B (0.54) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8555504 0.79 TSHR (0.41) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7469321 0.78 TSHR (0.58) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL7472270 0.78 ALDH1A1 (0.55) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7472920 0.78 TSHR (0.56) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1

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