SCHEMBL8017852

SCHEMBL8017852

[N-]=[N+]=C(C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ SRD5A2 P31213 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ KMO O15229 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 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
SCHEMBL2651614 0.81 HPGD (0.48) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL29782139 0.81 HPGD (0.48) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL14638820 0.76 TSHR (0.41) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL8021009 0.76 PARP1 (0.53) MAPTKDM4EMEN1NPC1PKM
SCHEMBL3184435 0.72 TSHR (0.70) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL6322177 0.72 SRD5A2 (0.79) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL14638735 0.72 TSHR (0.47) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL9448906 0.72 TSHR (0.52) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL3319687 0.70 TSHR (0.67) TSHRSRD5A2MAPTKDM4EMEN1
SCHEMBL8352471 0.70 TSHR (1.00) TSHRSRD5A2MAPTKDM4EMEN1

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
EP-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 — — EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 — — WO disclosed
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