SCHEMBL7837873

SCHEMBL7837873

[CH2]N(C)Cc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
CHRM5 P08912 1/20 0.42
CHKA P35790 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MMP13 P45452 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1602718 0.80 ALDH1A1 (0.56) LOXL2CHRM5CHKACYP1A2CYP3A4
SCHEMBL27947483 0.80 SMN1; SMN2 (0.50) LOXL2CHRM5CHKACYP1A2CYP3A4
SCHEMBL30093206 0.78 KDM4E (0.53) LOXL2CHRM5CHKACYP1A2CYP3A4
SCHEMBL22928691 0.76 CYP1A2 (0.44) LOXL2CHRM5CHKACYP1A2CYP3A4
SCHEMBL12827301 0.76 LOXL2 (0.42) LOXL2CHRM5CHKACYP1A2CYP3A4
SCHEMBL294642 0.75 TSHR (0.64) CYP3A4CYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL733206 0.74 CHRNB2 (0.62) CHRM5CHKACYP1A2CYP3A4CYP2D6
SCHEMBL3460936 0.74 CHRNB2 (0.71) CYP1A2CYP2D6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21444971 0.74 LOXL2 (0.50) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7289233 0.73 PYCR1 (0.50) CYP1A2CYP2C19ALDH1A1HRH3TSHR

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-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 EP claimed