SCHEMBL2433943

SCHEMBL2433943

CCC(C(=O)O)c1cc(Cl)c(NC(=O)c2nsc3ccccc23)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.48
▸ POLB P06746 1/20 0.48
▸ TP53 P04637 9/20 0.46
▸ LMNA P02545 7/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2432642 0.83 EPHB3 (0.54) ITGB1ITGA4
SCHEMBL2432847 0.81 ITGB1 (0.46) MAPTTP53ITGB1ITGA4SMN1; SMN2
SCHEMBL92550 0.81 MAPT (0.59) MAPTPOLBTP53LMNASMN1; SMN2
SCHEMBL2433516 0.80 KDM4E (0.45) —
SCHEMBL2431349 0.79 ITGB1 (0.58) MAPTPOLBTP53LMNAITGB1
SCHEMBL14591879 0.79 ITGB1 (0.54) MAPTPOLBTP53LMNAITGB1
SCHEMBL14626739 0.79 ITGB1 (0.55) MAPTPOLBTP53LMNAITGB1
SCHEMBL2435623 0.77 NR1I2 (0.40) POLBTP53LMNASMN1; SMN2
SCHEMBL92543 0.75 MAPT (0.63) MAPTPOLBTP53LMNASMN1; SMN2
SCHEMBL2430353 0.74 PTGER4 (0.53) MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
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