SCHEMBL8079894

SCHEMBL8079894

O=C(COc1ccc(Br)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL8433192 0.82 KMT2A (0.57) KMT2AMEN1POLBTDP1MAPT
SCHEMBL8084666 0.82 MAPT (0.60) KMT2AMEN1POLBMAPTNPC1
SCHEMBL18177840 0.78 ALDH1A1 (0.76) KMT2AMEN1POLBMAPTNPC1
SCHEMBL8290704 0.76 ALDH1A1 (0.61) KMT2AMEN1POLBTDP1MAPT
SCHEMBL11222973 0.74 MAPT (0.61) KMT2AMEN1POLBMAPTNPC1
SCHEMBL16468198 0.73 ALDH1A1 (0.43) KMT2AMEN1POLBTDP1NPC1
SCHEMBL15300921 0.73 ALDH1A1 (0.67) KMT2AMEN1POLBTDP1MAPT
SCHEMBL1713424 0.73 ALDH1A1 (0.63) KMT2AMEN1POLBTDP1MAPT
SCHEMBL7032108 0.72 MAPT (0.54) KMT2AMEN1POLBTDP1MAPT
SCHEMBL26293248 0.72 ALPL (0.45) KMT2AMEN1MAPTNPC1LMNA

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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed