SCHEMBL17629031

SCHEMBL17629031

C=CCN(CC=C)c1cccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 6/20 0.35
GAA P10253 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
ATM Q13315 2/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 2/20 0.33
C5AR1 P21730 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
SCHEMBL4557934 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ESIGMAR1KMT2A
SCHEMBL27630865 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL1509790 0.80 ERBB2 (0.37) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL9160128 0.79 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EGAASIGMAR1
SCHEMBL9450404 0.79 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EGAASIGMAR1
SCHEMBL22129831 0.77 SIGMAR1 (0.40) ALDH1A1HPGDKDM4EGAASIGMAR1
SCHEMBL1509676 0.76 KDM4E (0.45) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL1509825 0.74 KDM4E (0.39) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL22129826 0.74 CRHR1 (0.44) ALDH1A1SIGMAR1
SCHEMBL1477760 0.73 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAASIGMAR1

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-20160093413-A1 ELECTROCONDUCTIVE COMPOSITION, ELECTRICAL CONDUCTOR, LAMINATE AND METHOD FOR PRODUCING SAME, ELECTROCONDUCTIVE FILM, AND SOLID ELECTROLYTE CONDENSER MITSUBISHI RAYON CO., LTD. (JP) 2016-03-31 US disclosed