SCHEMBL8635405

SCHEMBL8635405

COC(=O)c1ccc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
TP53 P04637 2/20 0.58
ALDH1A1 P00352 5/20 0.57
HTT P42858 4/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RECQL P46063 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
PRMT5 O14744 1/20 0.51

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
SCHEMBL15693650 0.85 MAPT (0.63) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL15693641 0.84 MAPT (0.75) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL1063187 0.83 CYP2E1 (0.68) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL5504989 0.81 MAPT (0.73) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL15693634 0.81 MAPT (0.63) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL16366745 0.81 MAPT (0.63) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL1061025 0.80 RAB9A (0.77) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL3183363 0.78 NPBWR1 (0.63) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL8634298 0.78 MAPT (0.61) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL15693643 0.78 MAPT (0.67) MAPTSMN1; SMN2RAB9ALMNANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830346-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP claimed
US-5684030-A HYPOTENSIVE AGENTS, ANTIPROLIFERATION AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US claimed
WO-1996040645-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO claimed
EP-0830346-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 EP disclosed
US-5684030-A HYPOTENSIVE AGENTS, ANTIPROLIFERATION AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed
WO-1996040645-A1 2-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 WO disclosed