SCHEMBL28293417

SCHEMBL28293417

CC(=CC(C)c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
HTT P42858 2/20 0.38
TRPA1 O75762 3/20 0.38
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HIF1A Q16665 2/20 0.34
CA3 P07451 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CA6 P23280 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MASP2 O00187 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL6548210 0.76 TRPA1 (0.58) TRPA1ALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL6548208 0.76 TRPA1 (0.58) TRPA1ALDH1A1HIF1ACYP3A4ALOX15
SCHEMBL6546277 0.74 TRPA1 (0.51) TRPA1NPC1MAPTRAB9AALDH1A1
SCHEMBL6547527 0.74 TRPA1 (0.47) TRPA1NPC1MAPTRAB9AALDH1A1
SCHEMBL27833849 0.72 CYP19A1 (0.52) CYP19A1ESR1ESR2NPC1MAPT
SCHEMBL14878581 0.72 CYP19A1 (0.52) CYP19A1ESR1ESR2NPC1MAPT
SCHEMBL21983830 0.70 CYP19A1 (0.50) CYP19A1ESR1ESR2HTTNPC1
SCHEMBL9586459 0.69 TRPA1 (0.46) CYP19A1TRPA1ALDH1A1HIF1ACYP3A4
SCHEMBL9586455 0.69 TRPA1 (0.46) CYP19A1TRPA1ALDH1A1HIF1ACYP3A4
SCHEMBL9586468 0.69 TRPA1 (0.46) CYP19A1TRPA1ALDH1A1HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511424-A Imide series resin film manufacture system and imide series resin film manufacturing method TOKYO OHKA KOGYO CO LTD 2019-11-29 CN disclosed
CN-110112354-A Secondary cell and secondary cell Porous diaphragm 东京应化工业株式会社 2019-08-09 CN disclosed
CN-109608682-A Manufacturing method, porous polyimide film and the partition for having used the porous polyimide film of porous polyimide film 东京应化工业株式会社 2019-04-12 CN disclosed