SCHEMBL8634130

SCHEMBL8634130

CC(=O)C(CN(N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(C)cc1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F10 P00742 6/20 0.36
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.35
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
PLD1 Q13393 1/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL8637013 0.83 ITGB3 (0.38) ITGB3ITGA2BALDH1A1MEN1CYP3A4
SCHEMBL7396531 0.71 ITGB3 (0.49) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL8838053 0.68 ADRB2 (0.39) ITGB3ITGA2BCYP3A4CYP2C9ADRB2
Hydrochloric Acid SCHEMBL8838137 0.66 DPP4 (0.48) ITGB3ITGA2BNPSR1F10ADRB2
SCHEMBL8701209 0.66 L3MBTL1 (0.37) ITGB3ITGA2BMEN1KMT2AF10
SCHEMBL8699754 0.65 L3MBTL1 (0.36) ITGB3ITGA2BMEN1KMT2AF10
SCHEMBL8633916 0.65 ADRB2 (0.35) ITGB3ITGA2BF10ADRB2NCF1
SCHEMBL8838149 0.64 ITGB3 (0.39) ITGB3ITGA2BCYP3A4CYP2C9ADRB2
SCHEMBL8778807 0.64 KMT2A (0.44) ITGB3ITGA2BALDH1A1MEN1KMT2A
SCHEMBL8837930 0.64 SPHK1 (0.39) ITGB3ITGA2BADRB2NCF1PLD1

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed