SCHEMBL8972092

SCHEMBL8972092

ClC(Cl)(Cl)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
F2 P00734 4/20 0.42
F10 P00742 4/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
LTA4H P09960 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8972343 0.86 MEN1 (0.49) TSHRCYP3A4F2F10PRSS1
SCHEMBL10988883 0.84 MEN1 (0.44) TSHRCYP3A4F2F10PRSS1
SCHEMBL10977442 0.84 MEN1 (0.51) TSHRCYP3A4F2F10PRSS1
SCHEMBL10978111 0.83 CYP1A2 (0.50) TSHRCYP3A4F2F10MAP4K4
SCHEMBL11178628 0.82 MAP4K4 (0.49) TSHRCYP3A4F2F10ALDH1A1
SCHEMBL2521152 0.82 LTA4H (0.58) TSHRF2F10PRSS1PRSS2
SCHEMBL15871857 0.81 LOXL2 (0.55) F2F10PRSS1PRSS2PRSS3
SCHEMBL954527 0.81 LOXL2 (0.48) TSHRF2F10PRSS1PRSS2
SCHEMBL7040294 0.75 HTT (0.48) TSHRF2F10PRSS1PRSS2
SCHEMBL2144034 0.75 L3MBTL1 (0.54) TSHRF2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499276-A WITH A BASE AND REDUCING AGENT IN PRESENCE OF PHASE TRANSFER COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-02-12 US claimed
US-4499277-A Reduction of trichloromethylpyridines to dichloromethylpyridines THE DOW CHEMICAL COMPANY (US) 1985-02-12 US claimed
EP-0030101-B1 PREPARATION OF (DICHLOROMETHYL) PYRIDINES BY REDUCTIVE DECHLORINATION THE DOW CHEMICAL COMPANY (US) 1983-06-08 EP claimed
EP-0030101-A1 Preparation of (dichloromethyl) pyridines by reductive dechlorination THE DOW CHEMICAL COMPANY (US) 1981-06-10 EP claimed
US-4260766-A Preparation of (dichloromethyl) pyridines by reductive dechlorination THE DOW CHEMICAL COMPANY (US) 1981-04-07 US claimed
EP-0548855-B1 Method for producing dichloromethylpyridines ISHIHARA SANGYO KAISHA (JP) 1996-03-20 EP disclosed
US-5290944-A Reduction of corresponding trichloromethyl pyridine with dialkyl or trialkyl phosphite ISHIHARA SANGYO KAISHA LTD. (JP) 1994-03-01 US disclosed
EP-0548855-A1 Method for producing dichloromethylpyridines ISHIHARA SANGYO KAISHA, LTD. (JP) 1993-06-30 EP disclosed
US-4499276-A WITH A BASE AND REDUCING AGENT IN PRESENCE OF PHASE TRANSFER COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-02-12 US disclosed
US-4499277-A Reduction of trichloromethylpyridines to dichloromethylpyridines THE DOW CHEMICAL COMPANY (US) 1985-02-12 US disclosed
EP-0030101-B1 PREPARATION OF (DICHLOROMETHYL) PYRIDINES BY REDUCTIVE DECHLORINATION THE DOW CHEMICAL COMPANY (US) 1983-06-08 EP disclosed
EP-0030101-A1 Preparation of (dichloromethyl) pyridines by reductive dechlorination THE DOW CHEMICAL COMPANY (US) 1981-06-10 EP disclosed
US-4260766-A Preparation of (dichloromethyl) pyridines by reductive dechlorination THE DOW CHEMICAL COMPANY (US) 1981-04-07 US disclosed