SCHEMBL4953231

SCHEMBL4953231

Nc1[nH]c2cccc(N)c2c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
EGFR P00533 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
MAP2 P11137 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL28213843 0.84 CLK4 (0.46) ALDH1A1HSD17B10HPGDCA1CA2
SCHEMBL27679926 0.78 CYP19A1 (0.38) ALDH1A1HSD17B10HPGDEGFRESR1
SCHEMBL2224694 0.74 ESR1 (0.44) ALDH1A1HSD17B10HPGDESR1ESR2
SCHEMBL29965835 0.74 ESR1 (0.44) ALDH1A1HSD17B10HPGDESR1ESR2
SCHEMBL31550430 0.74 PSMB8 (0.38) ALDH1A1HSD17B10HPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL14576584 0.73 ESR1 (0.43) ALDH1A1HSD17B10HPGDESR1ESR2
Hydrochloric Acid SCHEMBL4557118 0.73 ESR1 (0.43) ALDH1A1HSD17B10HPGDESR1ESR2
SCHEMBL3873727 0.73 PSMB8 (0.43) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL10939474 0.70 CLK4 (0.47) ALDH1A1HSD17B10HPGDMAPTPARP1
SCHEMBL5754263 0.70 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDMAPTLMNA

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
WO-2008045952-A2 PHOTORECEPTOR PRECURSOR CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 WO disclosed