SCHEMBL8631022

SCHEMBL8631022

Clc1ccc(CSc2nc3ccccc3[nH]2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 7/20 0.64
LMNA P02545 6/20 0.64
HTT P42858 3/20 0.64
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 4/20 0.60
MAPT P10636 3/20 0.57
BCHE P06276 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GALR3 O60755 1/20 0.55
STAT3 P40763 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55

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
SCHEMBL31325523 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604486 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL13742575 0.83 CYP1A2 (0.70) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL9692985 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL8600005 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604482 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL2949736 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325504 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL8659490 0.80 OPRL1 (0.49) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604481 0.78 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT

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