SCHEMBL9871731

SCHEMBL9871731

[CH2]c1cc2c(cc1Br)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IGF1R P08069 1/20 0.40
CYP3A4 P08684 3/20 0.37
AHR P35869 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MAOB P27338 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL30456979 0.71 AHR (0.62) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL30513558 0.71 CYP3A4 (0.46) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL4594563 0.71 ALDH1A1 (0.42) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL15613033 0.71 CYP3A4 (0.37) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL8524080 0.71 AHR (0.62) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL8257515 0.71 PKM (0.40) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL3073324 0.71 MEN1 (0.47) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL1743402 0.71 CYP3A4 (0.37) MEN1KMT2AIGF1RCYP3A4AHR
SCHEMBL4016972 0.71 CYP3A4 (0.37) MEN1KMT2ACYP3A4ALDH1A1MAPT
SCHEMBL3464639 0.71 MEN1 (0.47) MEN1KMT2AIGF1RCYP3A4ALDH1A1

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
US-5024743-A Prophylaxis and therapy of infectious diseases MADAUS GMBH & CO. (DE) 1991-06-18 US claimed
US-8540904-B2 Composition for ultraviolet absorbent substance and ultraviolet absorbent substance comprising same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-09-24 US disclosed
US-20120313058-A1 COMPOSITION FOR ULTRAVIOLET ABSORBENT SUBSTANCE AND ULTRAVIOLET ABSORBENT SUBSTANCE COMPRISING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-12-13 US disclosed