SCHEMBL7340247

SCHEMBL7340247

NN=CNc1cccc(C(=O)NCC(=O)Nc2cc(Br)cc(Cl)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ITGB3 P05106 4/20 0.43
ITGAV P06756 4/20 0.43
ITGB6 P18564 4/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB1 P05556 1/20 0.36

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
Propionic Acid SCHEMBL7337742 0.96 LMNA (0.42) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7346220 0.85 HTT (0.39) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7340238 0.85 LMNA (0.46) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
Propionic Acid SCHEMBL7337734 0.83 LMNA (0.44) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL27484813 0.82 ITGB3 (0.47) LMNAITGB3ITGAVITGB6KMT2A
SCHEMBL6777304 0.82 ITGB3 (0.64) ITGB3ITGAVITGB6
SCHEMBL7341272 0.80 KMT2A (0.41) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7340034 0.80 LMNA (0.38) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7342298 0.78 HTT (0.37) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7347498 0.77 SMN1; SMN2 (0.38) LMNASMN1; SMN2ITGB3ITGAVITGB6

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed