SCHEMBL10413045

SCHEMBL10413045

Nc1ccccc1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TLR7 Q9NYK1 2/20 0.44
GRIN2B Q13224 1/20 0.43

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
SCHEMBL28765157 0.84 NPC1 (0.49) CYP11B1CYP11B2NPC1RAB9AHDAC3
SCHEMBL2824553 0.83 MAPT (0.57) MAPTGAACYP11B1CYP11B2HDAC3
SCHEMBL10918711 0.83 CYP11B1 (0.51) CYP11B1CYP11B2NPC1RAB9ATLR7
SCHEMBL19857760 0.82 CCR9 (0.49) MAPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL9244900 0.82 MAPT (0.69) MAPTGAACA1CA2CA9
SCHEMBL9252016 0.82 MAPT (0.69) MAPTGAACA1CA2CA9
SCHEMBL11061399 0.81 KMT2A (0.65) MAPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL11070724 0.81 CYP11B1 (0.50) GAACYP11B1CYP11B2NPC1RAB9A
SCHEMBL8374908 0.81 MAPT (0.87) MAPTGAACA1CA2CA9
SCHEMBL2843778 0.81 BRAF (0.47) MAPTCYP11B1CYP11B2NPC1RAB9A

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-4965275-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
EP-0330927-A2 Pyridine-4-carboxylic-acid anilide BAYER AG (DE) 1989-09-06 EP disclosed