SCHEMBL8742371

SCHEMBL8742371

N=C(N)Nc1c(Cl)c(Cl)cc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
HSD17B10 Q99714 6/20 0.39
TSHR P16473 5/20 0.39
CASP1 P29466 1/20 0.39
CYP3A4 P08684 4/20 0.38
MAPK1 P28482 2/20 0.36
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
HSP90AA1 P07900 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL11877504 0.80 LMNA (0.37) HSD17B10CYP3A4MAPK1LMNAKDR
SCHEMBL5519442 0.77 NPC1 (0.43) HPGDHSD17B10TSHRCASP1CYP3A4
SCHEMBL11883751 0.77 HTR3E (0.40) HPGDHSD17B10TSHRCASP1CYP3A4
SCHEMBL5520771 0.77 KMT2A (0.39) HPGDHSD17B10TSHRCASP1CYP3A4
SCHEMBL11883596 0.77 ALDH1A1 (0.39) HPGDHSD17B10TSHRCASP1CYP3A4
SCHEMBL11880741 0.74 GAA (0.32)
SCHEMBL8742365 0.74 CYP3A4 (0.40) HPGDHSD17B10TSHRCASP1CYP3A4
SCHEMBL11879848 0.74 PLAU (0.34) MAPK1ALDH1A1
SCHEMBL11883024 0.74 CYP1A2 (0.35) LMNACYP1A2ADRA2AADRA2CBLM
SCHEMBL11881186 0.74 HTT (0.43) HPGDTSHRF2F10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP claimed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP claimed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO claimed