SCHEMBL11338352

SCHEMBL11338352

Nc1c(Cl)cccc1C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SRD5A2 P31213 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL29829303 0.84 RECQL (0.71) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL5080596 0.84 RECQL (0.71) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL30185351 0.82 SMN1; SMN2 (0.71) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL195020 0.82 SMN1; SMN2 (0.71) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL3050631 0.81 RECQL (0.73) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL11224649 0.81 ALDH1A1 (0.52) RECQLSMN1; SMN2TSHRCASP1KDM4E
SCHEMBL9749113 0.81 ABCB11 (0.54) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL11624724 0.81 RECQL (0.77) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL15628209 0.80 ALOX15 (0.54) RECQLSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL11320848 0.79 NR4A1 (0.56) RECQLSMN1; SMN2SRD5A2MAPTALDH1A1

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-4254146-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1981-03-03 US disclosed