SCHEMBL9854210

SCHEMBL9854210

O=c1cc(Cl)sn1CCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.50
KCNH2 Q12809 1/20 0.46
DAO P14920 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL2109583 0.81 KAT2B (0.56) KAT2BALDH1A1CASP3
SCHEMBL6931122 0.74 KAT2B (0.53) KAT2BDAOTAAR1ALDH1A1
SCHEMBL80967 0.73 KAT2B (0.58) KAT2BALDH1A1CASP3
SCHEMBL9565202 0.72 KAT2B (0.79) KAT2BSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9517520 0.71 KAT2B (0.56) KAT2BALDH1A1CASP3
SCHEMBL14640465 0.71 KAT2B (0.47) KAT2BDAOALDH1A1
SCHEMBL9234887 0.71 KAT2B (0.61) KAT2B
SCHEMBL11189889 0.71 KAT2B (0.77) KAT2BALDH1A1
SCHEMBL31204126 0.70 KCNH2 (0.47) KCNH2DAOSMN1; SMN2TAAR1MEN1
SCHEMBL929340 0.68 KAT2B (0.90) KAT2BALDH1A1

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-0408215-A1 Mildew resistant paint compositions ROHM AND HAAS COMPANY (US) 1991-01-16 EP claimed