SCHEMBL19106983

SCHEMBL19106983

Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3nn(CC(C)C)nc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.40
▸ COMT P21964 1/20 0.37
▸ CACNA1B Q00975 4/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CSNK2A1 P68400 3/20 0.33
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ ICMT O60725 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL18040334 0.84 TRPV1 (0.45) TOP2ACACNA1BALDH1A1CNR1CNR2
SCHEMBL16144710 0.81 KIF11 (0.38) TOP2ANPC1RAB9AALDH1A1HPGD
SCHEMBL14799791 0.79 KDM4E (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14799769 0.78 TRPV1 (0.39) TOP2AALDH1A1MAPTCYP2C19CNR1
Diphenylamine SCHEMBL14799771 0.76 HSD17B10 (0.44) TOP2AALDH1A1HPGDCNR1CNR2
SCHEMBL23665478 0.75 COMT (0.42) COMTNPC1RAB9AMEN1KMT2A
SCHEMBL31301774 0.75 TOP2A (0.42) TOP2AALDH1A1HPGDMAPTCYP2C19
SCHEMBL17694122 0.75 SLC6A4 (0.33) TOP2A
SCHEMBL29171168 0.75 GRM2 (0.33) TOP2ANPC1RAB9AALDH1A1CSNK2A1
SCHEMBL17694142 0.74 CNR2 (0.41) CNR1CNR2

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-20170198143-A1 FLUORESCENT DYE COMPOUND HAVING BENZOTRIAZOLE STRUCTURE, POLYMER FLUORESCENT DYE COMPOUND AND WAVELENGTH-CONVERTING ENCAPSULANT COMPOSITION USING SAME NITTO DENKO CORPORATION (JP) 2017-07-13 — — US disclosed
US-20170198143-A1 FLUORESCENT DYE COMPOUND HAVING BENZOTRIAZOLE STRUCTURE, POLYMER FLUORESCENT DYE COMPOUND AND WAVELENGTH-CONVERTING ENCAPSULANT COMPOSITION USING SAME NITTO DENKO CORPORATION (JP) 2017-07-13 — — US disclosed
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