SCHEMBL9851951

SCHEMBL9851951

S=c1c2ccccc2oc2c(Br)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 1/20 0.39
CDC14A Q9UNH5 1/20 0.39
MAOA P21397 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
PGAM1 P18669 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AHR P35869 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL29552175 0.84 ALOX5 (0.46) CDC14BCDC14AMAOALOXL2ALDH1A1
SCHEMBL636238 0.84 ALOX5 (0.46) CDC14BCDC14AMAOALOXL2ALDH1A1
SCHEMBL23433190 0.79 ALOX5 (0.42) CDC14BCDC14AMAOALOXL2ALDH1A1
SCHEMBL3267918 0.78 MAOA (0.64) MAOAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9851906 0.78 MAOA (0.64) MAOAKDM4EMAPTCYP3A4HPGD
SCHEMBL23406935 0.78 CDC14B (0.46) CDC14BCDC14AMAOALOXL2ALDH1A1
SCHEMBL5608879 0.78 AHR (0.50) MAOAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL195537 0.77 ALDH1A1 (0.56) MAOAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29487286 0.77 ALDH1A1 (0.56) MAOAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL23433943 0.76 AHR (0.50) CDC14BCDC14AMAOALOXL2ALDH1A1

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