SCHEMBL10122763

SCHEMBL10122763

CCc1ccc(C2=NN=C(c3ccc(CC)cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
TP53 P04637 3/20 0.41
METAP2 P50579 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL27432182 0.88 NISCH (0.40) NISCHTP53METAP2NPC1RAB9A
SCHEMBL1702558 0.74 TP53 (0.56) NISCHTP53METAP2EGFRTAAR1
SCHEMBL2776957 0.74 TP53 (0.56) NISCHTP53METAP2EGFRTAAR1
SCHEMBL24181347 0.72 TRPA1 (0.37) TAAR1CYP2A6
SCHEMBL23793237 0.71 DHODH (0.42) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL13530917 0.71 NISCH (0.40) NISCHTP53METAP2NPC1RAB9A
SCHEMBL36295 0.71 TP53 (0.67) TP53TAAR1SMN1; SMN2ALDH1A1CYP2A6
SCHEMBL24230559 0.70 NISCH (0.39) NISCHTP53METAP2NPC1RAB9A
SCHEMBL24181382 0.69 MMP12 (0.40) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4321920 0.69 NISCH (0.44) NISCHTP53METAP2NPC1RAB9A

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-8119314-B1 Imaging devices comprising structured organic films XEROX CORPORATION (US) 2012-02-21 US disclosed