SCHEMBL11095680

SCHEMBL11095680

OCc1c(Cl)nc(C2CCCC2)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39

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
SCHEMBL11100209 0.99 KMT2A (0.51) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL11385166 0.83 KMT2A (0.46) KMT2AALDH1A1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL11100250 0.82 KMT2A (0.45) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL11379543 0.81 KMT2A (0.49) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL6096376 0.74 KMT2A (0.47) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL11096851 0.73 POLB (0.52) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL11153474 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ELMNARAB9AAGTR1
SCHEMBL6096557 0.71 KMT2A (0.40) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL6335210 0.70 KMT2A (0.39) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL4212102 0.68 ALDH1A1 (0.56) KMT2AALDH1A1KDM4EMEN1LMNA

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-4469794-A Silylation of inorganic oxy-anions THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1984-09-04 — — US disclosed
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 — — EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 — — US disclosed
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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