SCHEMBL8947825

SCHEMBL8947825

FC(F)(F)c1nc2ccc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.62
▸ DGAT1 O75907 3/20 0.58
▸ KCNH2 Q12809 3/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ S1PR1 P21453 1/20 0.57
▸ LMNA P02545 2/20 0.54
▸ NPBWR1 P48145 1/20 0.54
▸ HTT P42858 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL8146864 0.87 NPSR1 (0.62) NPSR1DGAT1KCNH2ALDH1A1KDM4E
SCHEMBL19521599 0.84 SMN1; SMN2 (0.52) DGAT1KCNH2ALDH1A1KDM4EMAPT
SCHEMBL23226794 0.84 SMN1; SMN2 (0.79) NPSR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL12175141 0.78 DGAT1 (0.62) NPSR1DGAT1KCNH2ALDH1A1KDM4E
SCHEMBL10295 0.77 NPSR1 (1.00) NPSR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL29353981 0.77 NPSR1 (1.00) NPSR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL23226795 0.77 ALDH1A1 (0.81) NPSR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL27442744 0.76 NPC1 (0.70) DGAT1KCNH2ALDH1A1KDM4EMAPT
SCHEMBL10694441 0.76 KDM4E (0.65) NPSR1DGAT1KCNH2ALDH1A1KDM4E
SCHEMBL521212 0.75 MAPT (0.97) NPSR1ALDH1A1KDM4EMAPTHPGD

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
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 — — US disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 — — EP disclosed
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