SCHEMBL3717832

SCHEMBL3717832

N#Cc1ccc(Cc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.66
▸ IDH1 O75874 3/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL24852055 0.85 CYP19A1 (0.52) IL4I1IDH1MAPK1
SCHEMBL6196432 0.82 IL4I1 (0.47) IL4I1IDH1CYP11B1CYP11B2PDE3B
SCHEMBL6843410 0.82 IL4I1 (0.47) IL4I1IDH1CYP11B1CYP11B2PDE3B
SCHEMBL24852522 0.82 IL4I1 (0.61) IL4I1IDH1KDM4EALDH1A1HPGD
SCHEMBL24851784 0.81 IL4I1 (0.60) IL4I1KDM4EALDH1A1HPGDPDE3B
SCHEMBL24852035 0.80 ALDH1A1 (0.56) IL4I1IDH1KDM4EALDH1A1HPGD
SCHEMBL24852527 0.80 IL4I1 (1.00) IL4I1IDH1KDM4EALDH1A1HPGD
SCHEMBL6991388 0.80 LOXL2 (0.49) IL4I1CYP11B1CYP11B2
SCHEMBL24852525 0.79 IL4I1 (0.57) IL4I1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24851965 0.78 IL4I1 (0.83) IL4I1IDH1KDM4EALDH1A1HPGD

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-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 — — WO disclosed
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