SCHEMBL19790198

SCHEMBL19790198

COCCNc1cccc(N)c1C=N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.43
▸ NCF1 P14598 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ HCAR3 P49019 1/20 0.32

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
SCHEMBL742957 0.79 PTGER4 (0.54) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11314258 0.77 PTGER4 (0.53) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21137032 0.73 CYP3A4 (0.34) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7734442 0.72 NCF1 (0.56) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4792453 0.72 BACE1 (0.51) KDM4EHPGDHSD17B10
SCHEMBL18394468 0.70 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20837291 0.70 NCF1 (0.44) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7965576 0.70 PTGER4 (0.46) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7745287 0.69 PTGER4 (0.51) PTGER4NCF1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1421397 0.68 PTGER4 (0.47) PTGER4NCF1ALDH1A1MAPTSMN1; 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
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP disclosed
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