SCHEMBL20062872

SCHEMBL20062872

c1ccc2c(c1)N(c1ccc3ccc4ccccc4c3c1)C(=C1N(c3ccc4ccc5ccccc5c4c3)c3ccccc3N1c1ccc3ccc4ccccc4c3c1)N2c1ccc2ccc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 2/20 0.46
TSHR P16473 1/20 0.46
HPRT1 P00492 3/20 0.43
CYP1A2 P05177 3/20 0.39
HPGD P15428 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
PAX8 Q06710 1/20 0.36
CASP3 P42574 1/20 0.36
GFER P55789 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL19343019 0.96 HPRT1 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL19343038 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL19343022 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL19343015 0.82 CYP1A2 (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL19343023 0.82 CYP1A2 (0.34) TDP1HPRT1CYP1A2HSP90AA1CYP2C9
SCHEMBL17794507 0.82 HSP90AA1 (0.57) ALDH1A1HSD17B10TDP1CYP2A6CYP1A2
SCHEMBL16773383 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL16773282 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL19343028 0.80 HSP90AA1 (0.50) ALDH1A1HSD17B10HIF1ATDP1CYP1A2
SCHEMBL19343017 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1TDP1

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed