SCHEMBL7746233

SCHEMBL7746233

COC(=O)c1ccc(CNc2ncnc(Cl)c2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
KDM4C Q9H3R0 1/20 0.52
RAB9A P51151 2/20 0.50
GALR3 O60755 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 2/20 0.42
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL17815800 0.86 AURKA (0.56) CNR1KDM4CRAB9AGALR3HDAC6
SCHEMBL17802580 0.86 KDM4C (0.55) CNR1KDM4CRAB9AGALR3ALDH1A1
SCHEMBL5233252 0.82 HTT (0.58) KDM4CRAB9AGALR3ALDH1A1AURKA
SCHEMBL29634669 0.82 HTT (0.58) KDM4CRAB9AGALR3ALDH1A1AURKA
SCHEMBL7746181 0.78 BDKRB1 (0.48) CNR1RAB9ACA1CA2NPC1
SCHEMBL10873653 0.77 KDM4C (0.60) CNR1KDM4CRAB9AGALR3CNR2
SCHEMBL30983851 0.77 KDM4C (0.72) KDM4CRAB9AGALR3ALDH1A1
SCHEMBL783719 0.77 KDM4C (0.72) KDM4CRAB9AGALR3ALDH1A1
SCHEMBL12392383 0.76 CCNC (0.53) CNR1RAB9ACA1CA2NPC1
SCHEMBL11827284 0.76 STAT1 (0.62) KDM4CRAB9AGALR3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686631-B1 Pyrimidine derivatives and pharmaceutical compositions KUREHA CHEMICAL IND CO LTD (JP) 2001-01-17 EP disclosed
US-5585381-A HYPOTENSIVE AGENT AND ALSO TREATING KIDNEY RENAL DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-17 US disclosed
EP-0686631-A1 Pyrimidine derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-13 EP disclosed