SCHEMBL7387259

SCHEMBL7387259

NC(=O)CCc1ccc(N2CCN(c3ccc(Br)cc3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
HDAC1 Q13547 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 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
SCHEMBL7396722 0.87 S1PR1 (0.52) S1PR1HDAC1ITGB3ITGA2BMEN1
SCHEMBL4537533 0.81 MEN1 (0.55) MEN1KMT2AFFAR1FFAR4SMN1; SMN2
SCHEMBL7390478 0.80 CYP4F2 (0.52) S1PR1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7275491 0.75 S1PR1 (0.52) S1PR1HDAC1ITGB3ITGA2BMEN1
SCHEMBL1675924 0.75 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7275097 0.75 S1PR1 (0.52) S1PR1HDAC1ITGB3ITGA2BMEN1
SCHEMBL8415373 0.75 ITGB3 (0.41) S1PR1ITGB3ITGA2BMEN1KMT2A
SCHEMBL7390958 0.75 RAB9A (0.42) S1PR1HDAC1MEN1KMT2ARAB9A
SCHEMBL7274080 0.74 ITGB3 (0.74) S1PR1ITGB3ITGA2B
SCHEMBL7845059 0.72 MEN1 (0.53) HDAC1MEN1KMT2AFFAR1FFAR4

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-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed