SCHEMBL8613734

SCHEMBL8613734

Fc1cc(-c2ccc(OCc3ccccc3)c(F)c2F)ccc1-c1ccc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.41
KDM1A O60341 4/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
PTGER1 P34995 4/20 0.37
MCL1 Q07820 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
S1PR5 Q9H228 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GSTP1 P09211 1/20 0.35
PRMT5 O14744 1/20 0.35

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
SCHEMBL8612028 0.93 FEN1 (0.40) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8617345 0.91 FEN1 (0.43) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8617918 0.91 ERN1 (0.46) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8613452 0.91 FEN1 (0.43) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8617922 0.91 KDM1A (0.40) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8615456 0.91 ERN1 (0.45) FEN1KDM1ARAB9ASMN1; SMN2ERN1
SCHEMBL8613441 0.90 KDM1A (0.40) KDM1ARAB9ASMN1; SMN2PTGER1MRGPRX4
SCHEMBL8613851 0.89 PTGER1 (0.44) FEN1KDM1ARAB9ASMN1; SMN2PTGER1
SCHEMBL8613438 0.88 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL8619299 0.88 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2MRGPRX4

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
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed