SCHEMBL11385166

SCHEMBL11385166

N#CCc1c(Cl)nc(C2CCCC2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.40
▸ CYP19A1 P11511 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AVPR1A P37288 1/20 0.35

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
Hydrochloric Acid SCHEMBL11100250 0.99 KMT2A (0.45) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11095680 0.83 KMT2A (0.49) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11100209 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11166790 0.75 ALDH1A1 (0.49) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6096376 0.71 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11379543 0.70 KMT2A (0.49) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11093753 0.70 AGTR1 (0.56) —
SCHEMBL11166001 0.68 ALDH1A1 (0.57) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11096714 0.68 ALDH1A1 (0.57) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11094570 0.67 ALDH1A1 (0.38) KMT2AALDH1A1MEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 — — EP disclosed
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