SCHEMBL8619299

SCHEMBL8619299

Fc1c(Br)ccc(-c2ccc(OCc3ccccc3)c(F)c2F)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
BRD4 O60885 1/20 0.40
NPC1 O15118 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
FOLH1 Q04609 1/20 0.38
MAOB P27338 1/20 0.38
LIPE Q05469 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SLC6A4 P31645 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL8613438 1.00 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL319757 0.94 KDM1A (0.47) KDM1ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL30782654 0.94 KDM1A (0.47) KDM1ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL8613441 0.93 KDM1A (0.40) KDM1ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL8613734 0.88 FEN1 (0.41) KDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL8612028 0.85 FEN1 (0.40) KDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL26604918 0.85 SMN1; SMN2 (0.44) KDM1ARAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL8617918 0.84 ERN1 (0.46) KDM1ARAB9ASMN1; SMN2MRGPRX4FFAR1
SCHEMBL8617922 0.83 KDM1A (0.40) KDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL8615456 0.83 ERN1 (0.45) KDM1ARAB9ASMN1; SMN2MRGPRX4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed