SCHEMBL7052353

SCHEMBL7052353

[CH2]n1cc(C(F)(F)F)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 3/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7052356 0.74 GSK3A (0.40) L3MBTL1TDP1KDM4ENPC1RAB9A
SCHEMBL1000302 0.74 TYR (0.45) L3MBTL1TDP1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL25410283 0.72 GSK3A (0.39) L3MBTL1TDP1KDM4ENPC1RAB9A
SCHEMBL12333052 0.72 GSK3A (0.42) L3MBTL1TDP1KDM4ECES2CES1
SCHEMBL2614384 0.71 HTT (0.52) L3MBTL1TDP1KDM4ENPC1RAB9A
SCHEMBL143208 0.69 ALDH1A1 (0.56) KDM4EPOLBMAPTCYP1A2CYP2D6
SCHEMBL10587460 0.69 L3MBTL1 (0.44) L3MBTL1TDP1KDM4ENPC1RAB9A
SCHEMBL21483640 0.69 P2RX3 (0.39) L3MBTL1TDP1KDM4ENPC1RAB9A
SCHEMBL142716 0.68 NPC1 (0.46) KDM4ENPC1RAB9AMGLLCYP1A2
SCHEMBL6116854 0.67 KIF11 (0.47) L3MBTL1TDP1KDM4EHTTCYP1A2

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed