SCHEMBL9738200

SCHEMBL9738200

Cc1c(C)n(Cc2ccccc2)c2c(S)nncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.48
KDM4E B2RXH2 4/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 4/20 0.36

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
SCHEMBL9754273 0.84 FABP4 (0.49) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9740226 0.81 FABP4 (0.46) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9738063 0.79 CYP1A2 (0.46) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9738267 0.79 FABP4 (0.47) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9737913 0.77 FABP4 (0.43) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9738417 0.74 CYP1A2 (0.46) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9739195 0.74 CYP1A2 (0.48) FABP4KDM4ENPSR1MEN1KMT2A
SCHEMBL9738512 0.74 CYP3A4 (0.67) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL4591520 0.73 CYP1A2 (0.46) FABP4KDM4ETSHRNPSR1MEN1
SCHEMBL9738841 0.73 CYP1A2 (0.52) FABP4KDM4ENPSR1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006979-A1 NEW DIAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-04-30 WO disclosed