SCHEMBL27911751

SCHEMBL27911751

O=C(/C=C/c1cccs1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.63
RAB9A P51151 14/20 0.63
SMN1; SMN2 Q16637 10/20 0.63
MAPT P10636 5/20 0.63
STAT1 P42224 1/20 0.63
KDM4E B2RXH2 6/20 0.62
MEN1 O00255 3/20 0.59
HTT P42858 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.59
PSMD14 O00487 1/20 0.59
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
ALDH1A1 P00352 5/20 0.57
PKM P14618 2/20 0.57
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
ALOX12 P18054 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP3A4 P08684 1/20 0.53

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
SCHEMBL11707536 0.82 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL11707531 0.82 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL22658957 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL11704721 0.77 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL11704717 0.77 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL11701948 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3273852 0.76 LMNA (0.65) NPC1RAB9ASMN1; SMN2MAPTSTAT1
SCHEMBL9756826 0.74 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL18985299 0.74 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL18985301 0.74 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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
CN-103214472-A Preparation of two novel non-ATP (Adenosine Triphosphate) competitive FGFR1 (Fibroblast Growth Factor Receptor1) inhibitors and anti-tumor activity of two novel non-ATP competitive FGFR1 inhibitors WENZHOU MEDICAL COLLEGE 2013-07-24 CN disclosed