SCHEMBL21753738

SCHEMBL21753738

NCc1nccn1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH1 P35367 1/20 0.36
GRM2 Q14416 1/20 0.36
PLD1 Q13393 1/20 0.36
SORD Q00796 1/20 0.36

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
SCHEMBL9441362 0.79 KDM4E (0.42) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL1046097 0.79 SMO (0.45) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL22290333 0.78 CYP3A4 (0.46) POLBALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL27735764 0.77 AVPR1A (0.44) KDM4ETSHRPOLBALDH1A1HSD17B10
SCHEMBL9441435 0.76 KDM4E (0.40) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL17844038 0.76 KDM4E (0.47) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL27358257 0.72 KDM4E (0.47) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL8499717 0.72 KDM4E (0.47) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL8089248 0.72 KDM4E (0.47) KDM4ETSHRPOLBALDH1A1HTT
SCHEMBL5594263 0.69 KDR (0.57) KDM4ETSHRPOLB

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
WO-2020039732-A1 CELL AGGREGATION INCLUDING OLFACTORY NEURON OR PRECURSOR CELL THEREOF, AND METHOD FOR PRODUCING SAME 住友化学株式会社 2020-02-27 WO disclosed