SCHEMBL9254891

SCHEMBL9254891

COC(=O)CCc1ccc(-c2cc(C)n(-c3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F2 P00734 6/20 0.41
F10 P00742 6/20 0.41
PRSS1 P07477 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9255111 1.00 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250781 0.89 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9258299 0.89 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9256120 0.85 ALDH1A1 (0.45) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250686 0.83 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9255881 0.83 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9258560 0.82 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9257600 0.81 F2 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9253069 0.80 MAP4K4 (0.50) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7282723 0.80 ITGB3 (0.41) ITGB3ITGA2BF2F10PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed