SCHEMBL20084397

SCHEMBL20084397

CC(C)=CCOc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 3/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FKBP1A P62942 1/20 0.41
ADRB2 P07550 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL3910119 0.81 TRPA1 (0.44) L3MBTL1HPGDALDH1A1LMNAMAPT
SCHEMBL15257400 0.79 AOC2 (0.50) L3MBTL1HPGDKMT2AALDH1A1MEN1
SCHEMBL791960 0.79 SMN1; SMN2 (0.55) HSD17B10LMNASMN1; SMN2TRPA1MTNR1A
SCHEMBL21970424 0.79 ALDH1A1 (0.38) TDP1HPGDALDH1A1HSD17B10LMNA
SCHEMBL28948151 0.79 KMT2A (0.41) TDP1KMT2AALOX15
SCHEMBL1255238 0.78 PPARG (0.39) HPGDALDH1A1ALOX15MAPK1KDM4E
SCHEMBL20084566 0.77 ALDH1A1 (0.40) L3MBTL1TDP1HPGDKMT2AALDH1A1
SCHEMBL29954244 0.76 LIPE (0.54) HPGDALDH1A1ALOX15MAPK1KDM4E
SCHEMBL28479323 0.76 L3MBTL1 (0.51) L3MBTL1HPGDALDH1A1HSD17B10MAPT
SCHEMBL919356 0.76 ADRA2A (0.36) HPGDALDH1A1ALOX15MAPK1KDM4E

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
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 EP disclosed