SCHEMBL9475602

SCHEMBL9475602

COc1ccc(CSC2=NC(C)=C(C(=O)O)C(c3ccc([N+](=O)[O-])cc3)N2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC29A1 Q99808 1/20 0.42
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL9476961 0.91 FFAR1 (0.44) MAPTALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL7272032 0.89 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL9476292 0.84 CACNA1F (0.53) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL6194820 0.84 MAPT (0.47) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL9476282 0.84 SMN1; SMN2 (0.41) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL9475062 0.83 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL9475639 0.82 TP53 (0.40) MAPTALDH1A1SMN1; SMN2GAAHTT
SCHEMBL9476068 0.82 CACNA1F (0.54) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL10911256 0.82 CACNA1F (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9477103 0.81 DCTPP1 (0.42) MAPTALDH1A1SMN1; SMN2GAAHPGD

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
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed