SCHEMBL7654815

SCHEMBL7654815

CCCCCC=C(C#N)c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.56
▸ MEN1 O00255 9/20 0.56
▸ MAPT P10636 8/20 0.56
▸ LMNA P02545 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ POLB P06746 4/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.56
▸ DAGLA Q9Y4D2 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ NSD2 O96028 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ GAA P10253 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
SCHEMBL28018575 0.82 DAGLA (0.64) LMNANPC1RAB9ASMN1; SMN2DAGLA
SCHEMBL13990397 0.75 SMN1; SMN2 (0.46) KMT2AMEN1MAPTLMNANPC1
SCHEMBL2768791 0.75 SMN1; SMN2 (0.46) KMT2AMEN1MAPTLMNANPC1
SCHEMBL2767621 0.75 SMN1; SMN2 (0.46) KMT2AMEN1MAPTLMNANPC1
SCHEMBL1902177 0.75 MAPT (0.62) KMT2AMEN1MAPTLMNANPC1
SCHEMBL1902176 0.75 MAPT (0.62) KMT2AMEN1MAPTLMNANPC1
SCHEMBL31285033 0.74 SMN1; SMN2 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL31285494 0.74 SMN1; SMN2 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL31284893 0.74 SMN1; SMN2 (0.45) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL31284710 0.74 SMN1; SMN2 (0.45) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444694-B1 ANTIPROLIFERATIVE AGENTS WYETH 2002-09-03 — — US disclosed
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP disclosed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 — — EP disclosed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 — — WO disclosed
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