SCHEMBL5879778

SCHEMBL5879778

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)NCC2CCN(c3ccccn3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.43
ITGAV P06756 4/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5879601 0.92 HSD17B10 (0.45) ITGB3ITGAVHSD17B10KDM4ECKS1B
SCHEMBL5879673 0.83 HSD17B10 (0.63) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL5879845 0.81 ITGB3 (0.46) ITGB3ITGAVKMT2A
SCHEMBL5879731 0.78 HSD17B10 (0.64) HSD17B10KDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL5879692 0.75 NOS2 (0.48) ITGB3ITGAVHSD17B10KDM4ESMN1; SMN2
SCHEMBL5879592 0.74 ITGB3 (0.43) ITGB3ITGAVTHRBALDH1A1
SCHEMBL5879563 0.74 POLB (0.45) ITGB3ITGAVKDM4EKMT2A
SCHEMBL5879569 0.73 ITGB3 (0.51) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879558 0.72 ITGB3 (0.74) ITGB3ITGAVKDM4ETHRB
SCHEMBL5879664 0.71 ITGB3 (0.52) ITGB3ITGAVKDM4EALDH1A1KMT2A

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed