SCHEMBL11269060

SCHEMBL11269060

CC1CCCCN1CC(=O)Nc1nc2cc3nc(NC(=O)CN4CCCCC4C)sc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CLK1 P49759 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ESR2 Q92731 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL11256488 0.87 ALDH1A1 (0.53) KMT2ALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11268003 0.85 CLK1 (0.48) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL11265296 0.84 TERT (0.48) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL11272891 0.83 CSNK1D (0.48) KMT2ALMNAALDH1A1KDM4EHPGD
SCHEMBL11269478 0.82 EGFR (0.47) KMT2AALDH1A1KDM4ESMN1; SMN2RECQL
SCHEMBL11266555 0.81 ALDH1A1 (0.48) KMT2ALMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11265331 0.80 KDM4E (0.62) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL11256985 0.80 CLK1 (0.57) KMT2AALDH1A1SMN1; SMN2POLBCLK1
SCHEMBL11265935 0.79 KDM4E (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL11262482 0.79 KDM4E (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2POLB

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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