SCHEMBL18558588

SCHEMBL18558588

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
STK25 O00506 1/20 0.41
EPHX1 P07099 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTR2B P41595 1/20 0.38
ALOX15 P16050 1/20 0.38
IDO1 P14902 2/20 0.37
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CRHR1 P34998 2/20 0.36
HDAC4 P56524 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 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
SCHEMBL9921043 0.91 STK25 (0.43) STK25ACKR3HDAC4MEN1KMT2A
SCHEMBL9921027 0.91 CCNA2 (0.43) RAB9ANPC1STK25EPHX1TACR2
SCHEMBL18558140 0.91 STK25 (0.43) RAB9ANPC1STK25EPHX1CRHR1
SCHEMBL18558261 0.91 CCNA2 (0.42) RAB9ANPC1STK25EPHX1CRHR1
SCHEMBL9920808 0.89 NPC1 (0.42) RAB9ANPC1STK25ACKR3CRHR1
SCHEMBL9920997 0.89 STK25 (0.39) STK25IDO1CRHR1HDAC4
SCHEMBL9920897 0.88 STK25 (0.39) RAB9ANPC1STK25EPHX1IDO1
SCHEMBL18558471 0.88 STK25 (0.40) RAB9ANPC1STK25IDO1CRHR1
SCHEMBL18558518 0.85 RAB9A (0.54) RAB9ANPC1EPHX1TDP1CRHR1
SCHEMBL9920918 0.85 CCNA2 (0.51) STK25ACKR3ALDH1A1MEN1KMT2A

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