SCHEMBL3361316

SCHEMBL3361316

COc1sc(-c2ccccc2)cc1C1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 1/20 0.33
PTP4A3 O75365 2/20 0.33
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
PTP4A2 Q12974 1/20 0.32
PTP4A1 Q93096 1/20 0.32
HSD17B1 P14061 1/20 0.31
PLAU P00749 1/20 0.31
C1S P09871 1/20 0.31
IKBKB O14920 1/20 0.31

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
SCHEMBL1041118 0.93 ALDH1A1 (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL423920 0.89 PLA2G10 (0.41) PLA2G10ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15926425 0.89 APP (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3169986 0.86 ALDH1A1 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3166027 0.85 ALDH1A1 (0.32) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL23169718 0.82 PLA2G10 (0.37) PLA2G10ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13164291 0.82 ESR1 (0.42) PLA2G10KMT2AKDM4ELMNAMAPT
SCHEMBL10101123 0.81 APP (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2990966 0.81 APP (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3008443 0.81 PLA2G10 (0.38) PLA2G10ALDH1A1HPGDRAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304076-B2 Particles with photochromic and light absorbing material for reimageable medium XEROX CORPORATION (US) 2012-11-06 US disclosed
US-8304076-B2 Particles with photochromic and light absorbing material for reimageable medium XEROX CORPORATION (US) 2012-11-06 US disclosed
US-8304076-B2 Particles with photochromic and light absorbing material for reimageable medium XEROX CORPORATION (US) 2012-11-06 US disclosed
US-20100086768-A1 PARTICLES WITH LIGHT ABSORBING MATERIAL FOR REIMAGEABLE MEDIUM XEROX CORPORATION (US) 2010-04-08 US disclosed
US-20100086768-A1 PARTICLES WITH LIGHT ABSORBING MATERIAL FOR REIMAGEABLE MEDIUM XEROX CORPORATION (US) 2010-04-08 US disclosed
US-20100086768-A1 PARTICLES WITH LIGHT ABSORBING MATERIAL FOR REIMAGEABLE MEDIUM XEROX CORPORATION (US) 2010-04-08 US disclosed