SCHEMBL9251613

SCHEMBL9251613

CCN(c1ccccc1)c1ccc(C=O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
NR3C2 P08235 1/20 0.38
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
ALDH1A1 P00352 5/20 0.36
DHFR P00374 2/20 0.36
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9249886 0.83 MEN1 (0.39) ALDH1A1TSHRL3MBTL1MAPTCRHBP
SCHEMBL9249935 0.83 NR3C2 (0.38) NR3C2ALDH1A1TSHRGLAMAPT
SCHEMBL11521967 0.82 ALDH1A3 (0.45) ALDH1A1TSHRL3MBTL1MAPTKDM4E
SCHEMBL9252467 0.79 TOP2A (0.42) EGFRALDH1A1TDP1
SCHEMBL9101634 0.79 TDP1 (0.37) ALDH1A1TSHRL3MBTL1MAPTNPSR1
SCHEMBL29708057 0.74 CHEK1 (0.52) ALDH1A1TSHRMAPTNPSR1KDM4E
SCHEMBL346454 0.74 CHEK1 (0.52) ALDH1A1TSHRMAPTNPSR1KDM4E
SCHEMBL7236844 0.74 KEAP1 (0.37) L3MBTL1TDP1ALDH1A3INSR
SCHEMBL13237051 0.73 CYP2A6 (0.47) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL2185816 0.71 APAF1 (0.49) APAF1CASP3CASP6SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395969-A Charge transport or control agents; photoconductors; electrographic toners ZENECA LIMITED (GB) 1995-03-07 US disclosed
US-5278315-A Phenylaminonaphthalyl hydrazone IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 US disclosed