SCHEMBL9851903

SCHEMBL9851903

S=c1c2ccccc2oc2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
TNKS O95271 1/20 0.42
MAOA P21397 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41

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
SCHEMBL11634806 0.89 GABRP (0.45) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL259160 0.88 AHR (0.59) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL29381559 0.88 AHR (0.59) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL18261965 0.87 PIM1 (0.43) AHRKMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL21890576 0.83 AHR (0.53) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL29487286 0.82 ALDH1A1 (0.56) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL195537 0.82 ALDH1A1 (0.56) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL31397562 0.81 MAOA (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL490127 0.81 MAOA (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL24073612 0.81 AHR (0.46) AHRMEN1KMT2AMAPTKDM4E

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-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed