SCHEMBL8886356

SCHEMBL8886356

CN(C(=O)CCC(=O)O)c1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.59
ITGA2B P08514 7/20 0.59
WDR5 P61964 1/20 0.45
PLAU P00749 1/20 0.44
NQO2 P16083 6/20 0.43
FFAR1 O14842 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL8886144 0.92 ITGB3 (0.54) ITGB3ITGA2BWDR5PLAUNQO2
Hydrochloric Acid SCHEMBL8887360 0.84 ITGB3 (0.52) ITGB3ITGA2BWDR5PLAUNQO2
SCHEMBL8887767 0.82 ITGB3 (0.47) ITGB3ITGA2BWDR5PLAUNQO2
SCHEMBL27268123 0.79 HSD17B10 (0.49) ITGB3ITGA2BLMNARAB9ASMN1; SMN2
SCHEMBL7364770 0.74 KMT2A (0.53) LMNARAB9A
SCHEMBL9558456 0.74 ITGB3 (0.69) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8885198 0.74 ITGB3 (0.47) ITGB3ITGA2BPLAU
SCHEMBL1114865 0.73 DRD4 (0.50) LMNARAB9A
SCHEMBL8895301 0.73 WDR5 (0.44) ITGB3ITGA2BWDR5PLAUNQO2
SCHEMBL8886607 0.73 ITGB3 (0.57) ITGB3ITGA2BWDR5NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed