SCHEMBL7935148

SCHEMBL7935148

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.50
ITGA2B P08514 11/20 0.50
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7935162 1.00 ITGB3 (0.50) ITGB3ITGA2BKDM4EMEN1PSMD14
SCHEMBL7366261 0.94 KDM4E (0.44) ITGB3ITGA2BKDM4EMEN1PSMD14
SCHEMBL7366256 0.94 KDM4E (0.44) ITGB3ITGA2BKDM4EMEN1PSMD14
SCHEMBL7449531 0.89 HSD17B10 (0.55) ITGB3ITGA2BKDM4EKMT2ACYP3A4
SCHEMBL7449519 0.89 HSD17B10 (0.55) ITGB3ITGA2BKDM4EKMT2ACYP3A4
SCHEMBL7368990 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP2
SCHEMBL7368980 0.86 ITGB3 (0.51) ITGB3ITGA2BMMP2
SCHEMBL7368598 0.84 KDM4E (0.52) KDM4EKMT2ACYP3A4CYP2C9HPGD
SCHEMBL7368594 0.84 KDM4E (0.52) KDM4EKMT2ACYP3A4CYP2C9HPGD
SCHEMBL7448765 0.80 ITGB3 (0.45) ITGB3ITGA2BMMP2CYP3A4CYP2C9

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
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed