SCHEMBL17051593

SCHEMBL17051593

Cc1ccc(-c2cccc(-c3ccnc(C)c3)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
WNT3A P56704 14/20 0.47
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
DYRK1A Q13627 1/20 0.42
UHRF1 Q96T88 1/20 0.41

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
SCHEMBL3423338 0.92 CCR1 (0.56) CYP3A4CYP2A6WNT3ACCR1CCR5
SCHEMBL18174734 0.87 CYP3A4 (0.43) CYP3A4CYP2A6WNT3ADYRK1A
SCHEMBL503090 0.86 CYP3A4 (0.63) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL2480995 0.83 CYP3A4 (0.56) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL17051618 0.82 CYP2A6 (0.58) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL27687343 0.81 CYP3A4 (0.54) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL17051611 0.81 DYRK1A (0.58) WNT3ADYRK1AUHRF1
SCHEMBL17051599 0.81 CYP3A4 (0.50) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL17051614 0.80 CYP3A4 (0.50) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL21022948 0.80 CYP2A6 (0.57) CYP3A4CYP2A6CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed