SCHEMBL7399281

SCHEMBL7399281

N=C(c1ccc(NC(=O)c2ccc3c(c2)CC(CC(=O)O)CO3)cc1)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.76
ITGA2B P08514 11/20 0.76
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7393898 0.94 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL7394270 0.94 ITGB3 (0.83) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7433090 0.93 ITGB3 (0.76) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7399141 0.93 ITGB3 (0.68) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7393696 0.92 ITGB3 (0.90) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7395124 0.91 ITGB3 (0.73) ITGB3ITGA2BNPC1RAB9AMAPT
SCHEMBL7390269 0.89 ITGB3 (0.73) ITGB3ITGA2BRAB9AMAPTALDH1A1
SCHEMBL7431646 0.87 ITGB3 (0.85) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL7398016 0.86 ITGB3 (1.00) ITGB3ITGA2BNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL7392346 0.85 ITGB3 (0.98) ITGB3ITGA2BNPC1RAB9AMAPT

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-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed