SCHEMBL19850679

SCHEMBL19850679

O=C(O)c1ccc(N=Nc2ccc(N=Nc3ccc(N4CCSC4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 3/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ POLB P06746 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 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
SCHEMBL17737094 0.91 KDM4E (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19844461 0.87 CYP1A1 (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19844477 0.85 GSK3B (0.38) TRPA1MAPTGAANPC1RAB9A
SCHEMBL19844456 0.83 MLYCD (0.41) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL19850680 0.83 RAB9A (0.52) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL19850678 0.81 MEN1 (0.41) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL3994082 0.81 KDM4E (0.61) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18821570 0.80 MAPT (0.63) TRPA1MAPTGAANPC1RAB9A
SCHEMBL19844476 0.79 HSD17B3 (0.43) ALDH1A1THRB
SCHEMBL19844460 0.78 ADRB1 (0.41) MAPTNPC1RAB9AALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023743-B2 Dichroic pigment compounds and compositions containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-07-17 — — US disclosed
US-20180037739-A1 COMPOUND AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-08 — — US disclosed
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