SCHEMBL8551630

SCHEMBL8551630

NCCc1cccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
XIAP P98170 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 8/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8554130 0.94 TSHR (0.43) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8595934 0.94 TSHR (0.44) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8554282 0.89 TSHR (0.48) TSHRXIAPPPARG
SCHEMBL8596034 0.88 TSHR (0.48) TSHRALDH1A1PPARG
SCHEMBL8557746 0.88 TSHR (0.45) TSHRXIAPMEN1KMT2ASMN1; SMN2
SCHEMBL7468643 0.88 TSHR (0.42) TSHRXIAPMEN1KMT2ASMN1; SMN2
SCHEMBL8594197 0.86 TSHR (0.45) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8551698 0.84 ALDH1A1 (0.45) TSHRSMN1; SMN2ALDH1A1PPARGMAOB
SCHEMBL8554854 0.83 TSHR (0.46) TSHRXIAPMEN1KMT2ASMN1; SMN2
SCHEMBL8601048 0.82 TSHR (0.49) TSHRXIAPMEN1KMT2ASMN1; SMN2

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-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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed