SCHEMBL7273655

SCHEMBL7273655

COC(=O)C[C@@H]1C[C@@H](CCNc2cccc(-c3cccc([N+](=O)[O-])c3)c2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 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
SCHEMBL7275560 0.88 ALDH1A1 (0.45) SIGMAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7281984 0.86 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7273607 0.86 KMT2A (0.35) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7281986 0.85 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7282011 0.85 ABCG2 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL7273665 0.84 F10 (0.39)
SCHEMBL7280821 0.84 ALDH1A1 (0.47) SIGMAR1KMT2ARAB9AMAPTALDH1A1
SCHEMBL7284968 0.83 ALDH1A1 (0.43) SIGMAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL7283072 0.78 ITGB3 (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7275722 0.77 SIGMAR1 (0.41) SIGMAR1KMT2AMAPTALDH1A1SMN1; SMN2

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed