SCHEMBL7310867

SCHEMBL7310867

CCC1(N)c2cc(C(=O)c3ccc(C=NN4CCSCC4)cc3)ccc2CCC1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 6/20 0.32
NPC1 O15118 5/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL7310564 0.99 SMN1; SMN2 (0.33) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7317411 0.94 SMN1; SMN2 (0.33) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7322049 0.92 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL7311480 0.91 RAB9A (0.38) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7313165 0.91 RAB9A (0.40) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7372897 0.91 RAB9A (0.39) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7323656 0.91 NPC1 (0.32) SMN1; SMN2GAAALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL7313205 0.91 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL7320309 0.91 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1LMNATHRB
SCHEMBL7314312 0.90 SMN1; SMN2 (0.39) SMN1; SMN2GAAALDH1A1LMNATHRB

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
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed