SCHEMBL30001680

SCHEMBL30001680

COC(=O)C(CNC(=O)CNC(=O)c1cccc(N)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.49
▸ ITGA5 P08648 5/20 0.49
▸ GPR139 Q6DWJ6 6/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ ITGAV P06756 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PRMT5 O14744 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
SCHEMBL23455481 1.00 ITGB1 (0.49) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455482 1.00 ITGB1 (0.49) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL30001111 1.00 ITGB1 (0.49) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL30001297 0.94 ITGB1 (0.44) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455558 0.94 ITGB1 (0.44) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455557 0.94 ITGB1 (0.44) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455362 0.92 ITGB1 (0.60) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23518326 0.89 ITGB1 (0.49) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455360 0.89 ITGB1 (0.57) ITGB1ITGA5GPR139MEN1KMT2A
SCHEMBL23455361 0.89 ITGB1 (0.57) ITGB1ITGA5GPR139MEN1KMT2A

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-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 — — EP disclosed
Send feedback