SCHEMBL8682759

SCHEMBL8682759

COC(=O)c1ccc2c(CCCNc3ccccn3)nn(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.40
▸ ITGAV P06756 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ITGB5 P18084 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGB6 P18564 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
SCHEMBL4958032 0.90 CSNK2A2 (0.43) ITGB3ITGAVITGB5HTTTP53
SCHEMBL8683774 0.86 SLC16A3 (0.41) ITGB3ITGAVITGB5RAB9AGAA
SCHEMBL28472884 0.76 TLR8 (0.41) SMN1; SMN2NPC1HTTALDH1A1HPGD
SCHEMBL7980652 0.75 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL7658563 0.75 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL7982200 0.75 ITGAV (0.61) ITGB3ITGAVITGB1ITGA2B
SCHEMBL27272748 0.75 SLC22A12 (0.44) SMN1; SMN2NPC1HTTALDH1A1HPGD
SCHEMBL28468125 0.75 LOXL2 (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7656202 0.74 KDM4E (0.38) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL7979100 0.74 ITGAV (0.68) ITGB3ITGAVITGB1ITGA2B

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-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
Send feedback