SCHEMBL31074804

SCHEMBL31074804

Clc1ccncc1-c1ccnc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMO Q99835 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 3/20 0.40

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
SCHEMBL31074768 0.79 MEN1 (0.49) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1
SCHEMBL1898243 0.77 CYP2A6 (0.54) SMN1; SMN2NPC1RAB9ATP53CYP1A2
SCHEMBL29236385 0.76 CYP2A6 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28503930 0.76 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL38662629 0.75 TNF (0.41) SMN1; SMN2MAPTKMT2AMEN1L3MBTL1
SCHEMBL18905473 0.74 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27786703 0.73 CYP1A2 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29620532 0.73 AURKA (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL190954 0.73 AURKA (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
Ammonia Solution, Strong SCHEMBL20267253 0.72 AURKA (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2024144208-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed