SCHEMBL11577136

SCHEMBL11577136

C=Cc1ccc(-c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.51
ESR2 Q92731 5/20 0.51
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAOA P21397 2/20 0.41
GLA P06280 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 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
SCHEMBL6563914 0.84 ALDH1A1 (0.54) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL4956947 0.84 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EHPGDACHE
SCHEMBL5880703 0.82 ALDH1A1 (0.52) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL5880709 0.82 ALDH1A1 (0.52) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL26462184 0.80 ESR1 (0.68) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL194068 0.80 ESR1 (0.73) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL29514776 0.80 ESR1 (0.73) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL669208 0.79 ALOX5 (0.50) ESR1ESR2ALDH1A1TSHRKDM4E
SCHEMBL28139140 0.78 ESR1 (0.70) ESR1ESR2ALDH1A1TSHRKDM4E
Ammonia Solution, Strong SCHEMBL28289396 0.78 ESR1 (0.70) ESR1ESR2ALDH1A1TSHRKDM4E

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-4125701-A ACRYLATE - VINYL ANTHRACENE, ACRIDINE OR CARBAZOLE COPOLYMER HITACHI, LTD. (JP) 1978-11-14 US claimed
US-4125701-A ACRYLATE - VINYL ANTHRACENE, ACRIDINE OR CARBAZOLE COPOLYMER HITACHI, LTD. (JP) 1978-11-14 US disclosed
US-4037036-A PHOTOCONDUCTIVE HITACHI, LTD. (JA) 1977-07-19 US disclosed
US-4037036-A PHOTOCONDUCTIVE HITACHI, LTD. (JA) 1977-07-19 US disclosed