SCHEMBL7835669

SCHEMBL7835669

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1cc(Br)c(OC)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GPR139 Q6DWJ6 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2 P00734 1/20 0.35
F7 P08709 1/20 0.35

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
SCHEMBL6783457 0.91 ITGB3 (0.45) ALDH1A1HPGDSMN1; SMN2GPR139LMNA
SCHEMBL7346550 0.89 ITGB3 (0.40) GPR139KMT2AITGB3ITGAVNPSR1
SCHEMBL7338356 0.86 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2GPR139LMNAKMT2A
SCHEMBL7340341 0.86 F7 (0.41) SMN1; SMN2GPR139LMNAKMT2AITGB3
SCHEMBL7341726 0.85 GPR139 (0.42) ALDH1A1GPR139LMNAKMT2AITGB3
SCHEMBL7823382 0.85 MAPT (0.41) ALDH1A1HPGDSMN1; SMN2LMNAITGB3
SCHEMBL7344055 0.85 F7 (0.46) ALDH1A1SMN1; SMN2GPR139MAPTF2
SCHEMBL3839471 0.85 GPR139 (0.47) GPR139KMT2AITGB3ITGAVF2
SCHEMBL7833456 0.84 NPC1 (0.41) ALDH1A1SMN1; SMN2GPR139LMNAKMT2A
SCHEMBL7339495 0.83 KMT2A (0.44) ALDH1A1SMN1; SMN2GPR139LMNAKMT2A

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed