SCHEMBL7979005

SCHEMBL7979005

S=C(NC1=CC[CH]C=C1)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 1/20 0.55
TAS2R38 P59533 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 5/20 0.47
GAA P10253 4/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
MAPT P10636 4/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL7899132 0.84 KMT2A (0.56) ALDH1A1CYP3A4KMT2AGAAMAOA
SCHEMBL7899185 0.83 MAPT (0.46) ALDH1A1CYP3A4TAS2R38HSD17B10KMT2A
SCHEMBL7638272 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AGAAMAOBLMNA
SCHEMBL7639487 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10KMT2AGAALMNA
SCHEMBL7645762 0.80 GRIN2D (0.40) ALDH1A1CYP3A4KMT2AGAALMNA
SCHEMBL7908521 0.80 MAPT (0.56) ALDH1A1KMT2AGAAMEN1RAB9A
SCHEMBL7640046 0.80 MAPT (0.58) ALDH1A1CYP3A4KMT2AGAALMNA
SCHEMBL7593147 0.80 MAPT (0.60) ALDH1A1HSD17B10KMT2AGAALMNA
SCHEMBL7981937 0.79 MAOA (0.54) ALDH1A1KMT2AGAAMAOAMAOB
SCHEMBL7868513 0.79 MEN1 (0.45) ALDH1A1KMT2AGAALMNAMEN1

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
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed