SCHEMBL4184035

SCHEMBL4184035

CCc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2CC)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 6/20 0.35
PTP4A2 Q12974 1/20 0.35
PTP4A1 Q93096 1/20 0.35
HSD17B1 P14061 1/20 0.34
GAA P10253 3/20 0.33
PKM P14618 2/20 0.33
PLAU P00749 1/20 0.33
C1S P09871 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 4/20 0.33
ALOX15 P16050 4/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23152432 0.90 PLAU (0.33) PTP4A3MAPTALDH1A1GAAPKM
SCHEMBL23158889 0.80 ALOX5 (0.33) MAPTGAAPKM
SCHEMBL423920 0.80 PLA2G10 (0.41) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL3965411 0.79 ALDH1A1 (0.36) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL10036359 0.79 HSD17B1 (0.38) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL916777 0.78 HSD17B1 (0.47) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL1041118 0.77 ALDH1A1 (0.37) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL10099047 0.77 RAB9A (0.37) PTP4A3MAPTALDH1A1PTP4A2PTP4A1
SCHEMBL23158835 0.74 PLA2G10 (0.36) PTP4A3MAPTALDH1A1GAAPKM
SCHEMBL16854926 0.74 MEN1 (0.41) MAPTALDH1A1SMN1; SMN2RAB9AHPGD

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
JP-2009215234-A FULL-COLOR PHOTOCHROMIC MATERIAL YAMAGUCHI TADATSUGU 2009-09-24 JP disclosed