SCHEMBL7981937

SCHEMBL7981937

S=C(NCc1ccccc1)NC1=CC[CH]C=C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ALOX12 P18054 4/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 4/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 2/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL7905397 0.84 ALDH1A1 (0.59) HPGDALDH1A1GAAPOLBMAPT
SCHEMBL7905411 0.84 KMT2A (0.58) MAOAMAOBHPGDALDH1A1GAA
SCHEMBL7639607 0.83 TRPV1 (0.46)
SCHEMBL7644918 0.80 QPCT (0.45) MAOAMAOBALDH1A1GAAPOLB
SCHEMBL7638276 0.80 MEN1 (0.50) ALOX12HPGDALDH1A1GAAMAPT
SCHEMBL7979005 0.79 ALDH1A1 (0.55) MAOAMAOBHPGDALDH1A1GAA
SCHEMBL7914787 0.78 MYC (0.48) ALOX12HPGDALDH1A1GAAMAPT
SCHEMBL7646586 0.78 MAPT (0.50) ALOX12ALDH1A1GAAPOLBMAPT
SCHEMBL7908201 0.78 SMN1; SMN2 (0.47) ALOX12HPGDALDH1A1GAAMAPT
SCHEMBL7641142 0.75 NPC1 (0.58) ALOX12HPGDALDH1A1GAAMAPT

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