SCHEMBL6963937

SCHEMBL6963937

COC(=O)C(NC(=O)c1cccnc1Cl)=C(c1ccccc1)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.60
ITGA4 P13612 5/20 0.60
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.40
NAMPT P43490 1/20 0.39
GRM4 Q14833 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6963934 1.00 ITGB1 (0.60) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6977318 0.91 ITGB1 (0.67) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6977320 0.91 ITGB1 (0.67) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6977677 0.89 ITGB1 (0.58) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6977675 0.89 ITGB1 (0.58) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6972201 0.84 ITGB1 (0.66) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6972192 0.84 ITGB1 (0.66) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6512426 0.72 ITGB1 (0.53) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6512435 0.72 ITGB1 (0.57) ITGB1ITGA4MEN1KMT2AHTT
SCHEMBL6512428 0.71 ITGB1 (0.56) ITGB1ITGA4MEN1KMT2AHTT

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
EP-1095036-B1 CINNAMIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH THERAPEUTICS LTD (GB) 2003-05-07 EP disclosed
US-6465471-B1 INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS THUS THEY ARE OF USE IN PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS CELLTECH THERAPEUTICS LIMITED (GB) 2002-10-15 US disclosed