SCHEMBL7501165

SCHEMBL7501165

Cn1nc(-c2ccc(Cl)cc2)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIN1 Q13526 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL27508502 0.86 MAPT (0.42) MAPTNPC1RAB9APOLBTSHR
SCHEMBL1554076 0.86 SCN4A (0.42) MAPTNPC1RAB9APOLBLMNA
SCHEMBL8889298 0.86 ESRRA (0.40) MAPTNPC1RAB9ATSHRLMNA
SCHEMBL6284972 0.81 HSD11B1 (0.42) LMNA
SCHEMBL6320670 0.80 KMO (0.36) CYP2C9
SCHEMBL8471864 0.79 MAPT (0.46) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL8484056 0.76 MAPT (0.47) MAPTNPC1RAB9APOLBLMNA
SCHEMBL6674197 0.74 PDE4B (0.30)
SCHEMBL6673150 0.74 KMT2A (0.39) KMT2APIN1
SCHEMBL28830032 0.74 NPC1 (0.40) MAPTNPC1RAB9APOLBTSHR

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
EP-0551766-B1 Composition of matter ZENECA LTD (GB) 1997-03-05 EP claimed
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 EP disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 CN disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed