SCHEMBL9877419

SCHEMBL9877419

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
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
IDO1 P14902 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL10448844 0.87 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL9878091 0.83 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL9878166 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL9877984 0.79 LMNA (0.45) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL11094696 0.75 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL11094694 0.75 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL11096738 0.74 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL11122644 0.74 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL9877648 0.73 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EPKMRAB9A
SCHEMBL10646003 0.73 POLB (0.45) KDM4ERAB9AMEN1KMT2ACYP1A2

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 3 patents. 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
EP-0434804-A1 COMPOSITIONS INFLUENCING THE DEVELOPMENT AND BLOSSOMING OF PLANTS, METHOD FOR TREATING PLANTS BY USING SUCH COMPOSITIONS AND MODIFIED PLANTS THUS OBTAINED INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 1991-07-03 EP disclosed
WO-1991000008-A1 COMPOSITIONS INFLUENCING THE DEVELOPMENT AND BLOSSOMING OF PLANTS, METHOD FOR TREATING PLANTS BY USING SUCH COMPOSITIONS AND MODIFIED PLANTS THUS OBTAINED INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 1991-01-10 WO disclosed