SCHEMBL9878091

SCHEMBL9878091

C=C(c1cccnc1)C(CCC)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL9878025 0.86 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877419 0.83 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9878166 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877984 0.81 LMNA (0.45) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877648 0.78 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL11096738 0.77 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877782 0.74 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877780 0.74 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL10448844 0.73 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL9877454 0.72 ALDH1A1 (0.42) 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