SCHEMBL8631498

SCHEMBL8631498

CCC1Oc2cccc(Oc3ccc(CCN)cc3)c2N(Cc2cccc(Cl)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOB P27338 2/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL8632487 0.95 TSHR (0.41) TSHRLMNAMAPK1USP2ATM
SCHEMBL8627942 0.93 TSHR (0.43) TSHRLMNAMAPK1USP2ATM
SCHEMBL8632930 0.88 TSHR (0.45) TSHRLMNAMAPK1USP2ATM
SCHEMBL8629030 0.88 TSHR (0.41) TSHRLMNAMAPK1USP2ATM
Hydrochloric Acid SCHEMBL8632521 0.87 LMNA (0.38) TSHRLMNAMAPK1USP2ATM
SCHEMBL8628591 0.86 LOXL2 (0.41) TSHRLMNAMAPK1USP2ATM
SCHEMBL8632952 0.84 SIRT1 (0.41) TSHRLMNAMAPK1TP53ALDH1A1
SCHEMBL8867663 0.82 TSHR (0.41) TSHRLMNAMAPK1USP2ATM
SCHEMBL8633614 0.77 TP53 (0.41) TSHRLMNAMAPK1USP2ATM
SCHEMBL8627411 0.77 TSHR (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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