SCHEMBL19975710

SCHEMBL19975710

C=Nc1c(/C=C\C)oc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGAM1 P18669 1/20 0.33
MAOA P21397 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
GRM4 Q14833 1/20 0.31
PPARG P37231 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL20967607 0.75 L3MBTL1 (0.40) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL19546812 0.75 L3MBTL1 (0.58) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL19721397 0.75 MEN1 (0.34) L3MBTL1
SCHEMBL17192976 0.75 L3MBTL1 (0.37) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL26506708 0.71 ABCB1 (0.40) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL12646572 0.71 L3MBTL1 (0.37) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL21117505 0.70 MAOA (0.50) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL18830830 0.70 L3MBTL1 (0.36) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL19257443 0.70 CA12 (0.34) L3MBTL1KDM4EMAPTALDH1A1HPGD
SCHEMBL16801183 0.67 ALDH1A1 (0.32) L3MBTL1MAPTALDH1A1HPGDSMN1; 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-9923151-B2 Material for organic electroluminescent elements, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed