SCHEMBL7398016

SCHEMBL7398016

N=C(c1ccc(C(=O)Nc2ccc3c(c2)CC(CC(=O)O)CO3)cc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 1.00
ITGA2B P08514 14/20 1.00
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL7392346 0.99 ITGB3 (0.98) ITGB3ITGA2BLMNATP53ALDH1A1
SCHEMBL7393696 0.94 ITGB3 (0.90) ITGB3ITGA2BLMNATP53ALDH1A1
SCHEMBL7394021 0.93 ITGB3 (0.86) ITGB3ITGA2BLMNATP53ALDH1A1
Hydrochloric Acid SCHEMBL7387428 0.92 ITGB3 (0.85) ITGB3ITGA2BLMNATP53ALDH1A1
SCHEMBL7393898 0.92 ITGB3 (0.85) ITGB3ITGA2BLMNAALDH1A1RAB9A
SCHEMBL7431646 0.92 ITGB3 (0.85) ITGB3ITGA2BTP53ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7394270 0.91 ITGB3 (0.83) ITGB3ITGA2BLMNAALDH1A1RAB9A
SCHEMBL7395101 0.90 ITGB3 (0.82) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7390053 0.89 ITGB3 (0.80) ITGB3ITGA2BLMNATP53ALDH1A1
Hydrochloric Acid SCHEMBL27354530 0.87 ITGB3 (0.77) ITGB3ITGA2BLMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062266-C Amidine derivative and platelet agglutination inhibitor containing said amidine derivative SCHERING CORP (DE) 2001-02-21 CN disclosed
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
CN-1154962-A Amidine derivative and platelet agglutination inhibitor containing said amidine derivative MITSUI TOATSU CHEMICALS (JP) 1997-07-23 CN disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed