SCHEMBL11379543

SCHEMBL11379543

OCc1nc(C2CCCC2)n(Cc2ccccc2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL11095680 0.81 KMT2A (0.49) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11100209 0.80 KMT2A (0.51) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6096557 0.74 KMT2A (0.40) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11096851 0.73 POLB (0.52) KMT2AALDH1A1MEN1KDM4ELMNA
Lithium Ion SCHEMBL6335206 0.72 KMT2A (0.39) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL6096376 0.71 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11385166 0.70 KMT2A (0.46) KMT2AALDH1A1MEN1KDM4ELMNA
Hydrochloric Acid SCHEMBL11100250 0.69 KMT2A (0.45) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL4212102 0.68 ALDH1A1 (0.56) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL11092792 0.68 AGTR1 (0.63) —

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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