SCHEMBL18558261

SCHEMBL18558261

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.42
CDK2 P24941 5/20 0.42
CCNA1 P78396 5/20 0.42
STK25 O00506 1/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
EPHX2 P34913 2/20 0.37
CRHR1 P34998 1/20 0.37
KDR P35968 1/20 0.37
PLK1 P53350 1/20 0.37
MAPK8 P45983 1/20 0.37
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18558588 0.91 RAB9A (0.43) STK25RAB9ANPC1MEN1KMT2A
SCHEMBL9920918 0.90 CCNA2 (0.51) CCNA2CDK2CCNA1STK25MEN1
SCHEMBL18558140 0.90 STK25 (0.43) STK25RAB9ANPC1MEN1KMT2A
SCHEMBL9921027 0.90 CCNA2 (0.43) CCNA2CDK2CCNA1STK25RAB9A
SCHEMBL9921043 0.90 STK25 (0.43) CCNA2CDK2CCNA1STK25MEN1
SCHEMBL9920997 0.88 STK25 (0.39) CCNA2CDK2CCNA1STK25EPHX2
SCHEMBL9920897 0.87 STK25 (0.39) CCNA2CDK2CCNA1STK25RAB9A
SCHEMBL9920808 0.86 NPC1 (0.42) CCNA2CDK2CCNA1STK25RAB9A
SCHEMBL18558471 0.84 STK25 (0.40) STK25RAB9ANPC1MEN1KMT2A
SCHEMBL9920841 0.82 CCNA2 (0.41) CCNA2CDK2CCNA1STK25RAB9A

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
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed