SCHEMBL11525237

SCHEMBL11525237

NNc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
GRM4 Q14833 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.39
PDK1 Q15118 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAPGEF3 O95398 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
FLT1 P17948 1/20 0.37

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
SCHEMBL11715177 0.84 KDR (0.61) KDRGRM4RAPGEF4PDK1ALDH1A1
Hydrochloric Acid SCHEMBL1403103 0.82 KDR (0.59) KDRGRM4RAPGEF4PDK1ALDH1A1
SCHEMBL11414045 0.80 KDR (0.47) KDRGRM4RAPGEF4PDK1CNR1
SCHEMBL19089350 0.80 AR (0.45) KDRGRM4RAPGEF4PDK1CNR1
SCHEMBL9725601 0.80 KDR (0.43) KDRGRM4RAPGEF4PDK1CNR1
SCHEMBL10389130 0.78 RAPGEF3 (0.42) KDRGRM4RAPGEF4PDK1CNR1
SCHEMBL16883647 0.78 KIF11 (0.50) POLBTDP1ALDH1A1L3MBTL1
SCHEMBL20656067 0.77 RAPGEF3 (0.41) KDRGRM4RAPGEF4PDK1CNR1
SCHEMBL5742985 0.77 KDR (0.57) KDRGRM4NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL4380595 0.76 KIF11 (0.49) POLBTDP1ALDH1A1L3MBTL1

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-4162329-A Combating fungi with dicarboxylic acid mono-arylhydrazides BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed
US-3947513-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 US disclosed