SCHEMBL8146864

SCHEMBL8146864

FC(F)(F)c1nc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.62
▸ DGAT1 O75907 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL8947825 0.87 NPSR1 (0.62) NPSR1DGAT1KCNH2MAPTKDM4E
SCHEMBL5512134 0.84 DYRK3 (0.42) NPSR1DGAT1KCNH2MAPTKDM4E
SCHEMBL14669313 0.80 NPSR1 (0.45) NPSR1DGAT1KCNH2MAPTKDM4E
SCHEMBL7018825 0.79 TRPA1 (0.53) NPSR1MAPTKDM4EHPGDPOLB
SCHEMBL20494892 0.77 DGAT1 (0.42) NPSR1DGAT1KCNH2MAPTKDM4E
SCHEMBL10295 0.77 NPSR1 (1.00) NPSR1MAPTKDM4EHPGDPOLB
SCHEMBL29353981 0.77 NPSR1 (1.00) NPSR1MAPTKDM4EHPGDPOLB
SCHEMBL5681855 0.76 NPSR1 (0.59) NPSR1DGAT1KCNH2MAPTKDM4E
SCHEMBL22649095 0.76 NPC1 (0.67) DGAT1KCNH2MAPTKDM4EHPGD
SCHEMBL30341867 0.76 PARP1 (0.54) NPSR1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6219946-A — — None — — JP disclosed
EP-0667861-B1 2-TRIFLUOROMETHYL BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 2000-07-19 — — EP disclosed
US-5863933-A NEMATOCIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 — — US disclosed
US-5656649-A PESTICIDE, INSECTICIDES, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-12 — — US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 — — US disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
JP-H06219946-A USE OF SUBSTITUTED BENZIMIDAZOLE BAYER AG 1994-08-09 — — JP disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 — — EP disclosed
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