SCHEMBL8613441

SCHEMBL8613441

Fc1c(Br)ccc(-c2ccc(-c3ccc(OCc4ccccc4)c(F)c3F)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
GSTP1 P09211 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PTGER1 P34995 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL8619299 0.93 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL8613438 0.93 KDM1A (0.43) KDM1ARAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL8613429 0.90 USP28 (0.44) KDM1ARXRARXRBRXRGGSTP1
SCHEMBL8613734 0.90 FEN1 (0.41) KDM1ARXRARXRBRXRGGSTP1
SCHEMBL319757 0.89 KDM1A (0.47) KDM1ARAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL30782654 0.89 KDM1A (0.47) KDM1ARAB9ASMN1; SMN2MRGPRX4MAPT
SCHEMBL8616654 0.89 USP28 (0.43) KDM1ARXRARXRBRXRGGSTP1
SCHEMBL8613340 0.88 ERN1 (0.41) KDM1ARXRARXRBRXRGGSTP1
SCHEMBL8613507 0.88 ERN1 (0.46) KDM1ARXRARXRBRXRGGSTP1
SCHEMBL8617922 0.88 KDM1A (0.40) KDM1ARXRARXRBRXRGGSTP1

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