SCHEMBL8079992

SCHEMBL8079992

O=C(COc1c(F)cc(-c2ccc(OC(=O)O)cc2)cc1[N+](=O)[O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.79
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RAPGEF3 O95398 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
PTGES O14684 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
ADAMTS5 Q9UNA0 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
SCHEMBL8070724 0.89 SRD5A2 (1.00) SRD5A2MAPTNPC1LMNACASP3
SCHEMBL8079934 0.78 SRD5A2 (0.78) SRD5A2MAPTLMNASMN1; SMN2PTGES
SCHEMBL6225616 0.71 ALDH1A1 (0.46) SRD5A2MAPTLMNASMN1; SMN2POLB
SCHEMBL8084666 0.68 MAPT (0.60) SRD5A2MAPTNPC1LMNACASP3
SCHEMBL8437380 0.67 SRD5A2 (0.65) SRD5A2LMNAPTGESCRHBPCRHR2
SCHEMBL8079894 0.66 KMT2A (0.57) MAPTNPC1LMNACASP3SENP8
SCHEMBL8079931 0.65 SRD5A2 (1.00) SRD5A2MAPTLMNASMN1; SMN2HTT
SCHEMBL6961165 0.63 CYP2C9 (0.67) MAPTRAPGEF3SMN1; SMN2MAPK1CYP2C9
SCHEMBL27421511 0.62 KMT2A (0.59) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL6225496 0.61 CRHBP (0.54) SMN1; SMN2MAPK1POLBHTTCRHBP

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 1 patent. 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 claimed