SCHEMBL7365224

SCHEMBL7365224

O=S(=O)(O)c1cnccc1NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.62
KDM4C Q9H3R0 5/20 0.57
KDM6B O15054 2/20 0.57
KDM4E B2RXH2 1/20 0.57
KDM4A O75164 1/20 0.57
KDM4D Q6B0I6 1/20 0.57
KDM5B Q9UGL1 1/20 0.49
ADRA2C P18825 2/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
LTA4H P09960 1/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL7360063 0.86 KDM6B (0.59) BRS3KDM4CKDM6BKDM4EKDM4A
SCHEMBL29377096 0.81 HSD17B10 (0.55) BRS3KDM4EHPGDMEN1ALDH1A1
SCHEMBL401444 0.81 HSD17B10 (0.55) BRS3KDM4EHPGDMEN1ALDH1A1
SCHEMBL28535503 0.80 HSD17B10 (0.53) BRS3KDM4EHPGDMEN1ALDH1A1
SCHEMBL28533341 0.80 HSD17B10 (0.53) BRS3KDM4EHPGDMEN1ALDH1A1
SCHEMBL7398435 0.78 CA12 (0.47) BRS3KDM4CKDM6BHPGDALDH1A1
SCHEMBL7366988 0.76 F2 (0.55)
SCHEMBL7366989 0.76 F2 (0.55)
SCHEMBL2511447 0.76 KDM4C (0.78) BRS3KDM4CKDM6BKDM4EKDM4A
SCHEMBL7396131 0.75 KDM6B (0.55) BRS3KDM4CKDM6BKDM4EMEN1

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
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed