SCHEMBL7876229

SCHEMBL7876229

O=C(Oc1ccc(F)c(F)c1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10615959 0.86 CES2 (0.55) KMT2AMAPTRAB9ASMN1; SMN2CES2
SCHEMBL16426509 0.85 RAB9A (0.43) HIF1ATSHRKMT2AMAPTRAB9A
SCHEMBL14884266 0.83 CES2 (0.44) KMT2AMAPTRAB9ACES2CES1
SCHEMBL16582498 0.83 KMT2A (0.54) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10179765 0.83 KMT2A (0.64) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL16603398 0.82 MAOA (0.49) KMT2AMAPTRAB9ACES2CES1
SCHEMBL532894 0.81 NPC1 (0.57) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL533375 0.81 NPC1 (0.57) KMT2AMAPTRAB9ANPC1MEN1
SCHEMBL9618044 0.80 PRSS1 (0.55) KMT2AMAPTSMN1; SMN2CES2CES1
SCHEMBL12199929 0.80 MAOA (0.50) KMT2AMAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174573-B1 3,4'-(HALO OR HALOGEN),4-((CYCLO)ALK(OXY)CARBONYLOXY)-DIPHENYLACETYLENE COMPOUNDS WHICH INCREASE THE N-I POINT (NEMATIC ANISOTROPY PHASE TRANSITION TEMPERATURE), AND THE DOUBLE REFRACTIVE INDEX CITIZEN WATCH CO., LTD. (JP) 2001-01-16 US disclosed
US-5972244-A INCREASE THE N-I POINT, DECREASE VISCOSITY, AND INCREASE DOUBLE REFRACTIVE INDEX OF A LIQUID CRYSTAL COMPOSITION WITHOUT AFFECTING THRESHOLD VOLTAGE CITIZEN WATCH CO., LTD. (JP) 1999-10-26 US disclosed
US-5656198-A DISPLAY DEVICE CITIZEN WATCH CO., LTD. (JP) 1997-08-12 US disclosed