SCHEMBL9876965

SCHEMBL9876965

C#CCC(/C(=C\CCC)c1cccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
TBXAS1 P24557 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HTT P42858 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
SCHEMBL9876967 1.00 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9878349 0.87 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9878356 0.87 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9878369 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9878363 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9877454 0.83 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877453 0.83 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877329 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9878166 0.80 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EPKMTBXAS1
SCHEMBL9877894 0.74 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPKMSMN1; SMN2

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
US-5036074-A In agriculture and horticulture CIBA-GEIGY CORPORATION (US) 1991-07-30 US disclosed