SCHEMBL9316869

SCHEMBL9316869

CC(N)(Cc1cc(S)c2nc(N)sc2c1)C(=O)O.CC(N)(Cc1ccc2nc(N)sc2c1)C(=O)O.CC(N)(Cc1ccc2nsnc2c1)C(=O)O.Nc1nc2ccc(CC(N)C(=O)O)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2C9 P11712 3/20 0.35
MAPT P10636 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL9316872 1.00 RAB9A (0.36) RAB9ANPC1SMN1; SMN2PKMCYP3A4
SCHEMBL6724674 0.79 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6720065 0.79 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL11531247 0.79 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6717407 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL6717415 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL11562279 0.77 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11326193 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11555631 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11326190 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C9

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-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed