SCHEMBL7922682

SCHEMBL7922682

IC=Cc1ccccc1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
AKT1 P31749 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
ERBB4 Q15303 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
AKT3 Q9Y243 1/20 0.40
CYP19A1 P11511 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
SCHEMBL7922679 1.00 NOTUM (0.41) NOTUMAURKACDK1LYNPIM1
SCHEMBL7935558 0.84 BACE1 (0.46) HSD17B10MAPK1ALDH1A1BACE1PTGER1
SCHEMBL8175555 0.84 BACE1 (0.46) HSD17B10MAPK1ALDH1A1BACE1PTGER1
SCHEMBL7935560 0.84 BACE1 (0.46) HSD17B10MAPK1ALDH1A1BACE1PTGER1
SCHEMBL7930730 0.80 CYP2A6 (0.47) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7930734 0.80 CYP2A6 (0.47) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28405741 0.79 TRPA1 (0.46) NOTUMAURKACDK1CDK2CYP19A1
SCHEMBL28893584 0.79 PTGER3 (0.57) MAPTMAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL28893687 0.79 PTGER3 (0.57) MAPTMAPK1ALDH1A1SMN1; SMN2HTT
SCHEMBL7931961 0.77 NFE2L2 (0.38) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2

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
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed