SCHEMBL20184142

SCHEMBL20184142

Cc1ccc(C(=O)NN)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GFER P55789 1/20 0.42
CES2 O00748 1/20 0.42
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
ESRRG P62508 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL15296549 0.81 MAP2K1 (0.42) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL4620600 0.81 CES2 (0.46) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL108796 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL18398755 0.81 SMN1; SMN2 (0.45) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL107636 0.80 CSNK2A1 (0.52) MAPTSMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL28471721 0.80 CES2 (0.48) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL3139113 0.80 ALDH1A1 (0.46) MAPTALDH1A1GFERCES2TMPRSS4
SCHEMBL2634026 0.80 KDM4E (0.62) MAPTSMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL16520931 0.80 SMN1; SMN2 (0.40) MAPTSMN1; SMN2TP53RAB9APTGDR2
SCHEMBL15296546 0.80 RAB9A (0.43) MAPTSMN1; SMN2TP53RAB9APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325446-A1 SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed