SCHEMBL7712466

SCHEMBL7712466

Cc1nc2nc(C)c(N)c(Cc3ccco3)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
HSD17B10 Q99714 9/20 0.37
HPGD P15428 8/20 0.37
KDM4E B2RXH2 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 4/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7706437 0.68 KDM4E (0.35) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL7712463 0.68 L3MBTL1 (0.70) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL14713173 0.62 HSD17B10 (0.40) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL1404275 0.61 CHRM2 (0.46) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL15934206 0.60 HSD17B10 (0.45) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL11323139 0.60 L3MBTL1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL31727996 0.58 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL20692482 0.58 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL1498698 0.57 PNP (0.44) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL11930694 0.57 KDM4E (0.38) ALDH1A1KDM4EPOLBKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed