SCHEMBL9412432

SCHEMBL9412432

COc1cc2c(cc1C(=O)NCCC(=O)O)nc(C(C)C1CCNCC1)n2C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.39
▸ ITGB3 P05106 13/20 0.38
▸ ITGA2B P08514 13/20 0.38
▸ AKT1 P31749 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 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
SCHEMBL9412435 0.81 ITGB3 (0.46) HTR4ITGB3ITGA2BMAPT
SCHEMBL9412475 0.74 HTR4 (0.42) HTR4ITGB3ITGA2BMAPTEHMT2
SCHEMBL9412587 0.68 JAK2 (0.42) ITGB3ITGA2BMAPT
SCHEMBL9252912 0.68 ITGB3 (0.43) ITGB3ITGA2B
Bromide SCHEMBL9412481 0.68 ITGB3 (0.46) ITGB3ITGA2B
Bromide SCHEMBL9412653 0.68 ITGB3 (0.45) ITGB3ITGA2BMAPT
Bromide SCHEMBL9412670 0.67 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL9412427 0.66 HDAC6 (0.41) ITGB3ITGA2BMAPT
SCHEMBL9412685 0.64 ITGB3 (0.38) ITGB3ITGA2BMAPT
SCHEMBL9412438 0.64 ITGB3 (0.38) ITGB3ITGA2BMAPT

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
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
Send feedback