SCHEMBL7410653

SCHEMBL7410653

CCOC(=O)CCNc1ccc(OC)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
PABPC1 P11940 4/20 0.48
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
RAB9A P51151 5/20 0.46
LMNA P02545 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TOP2A P11388 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4459452 0.79 KMT2A (0.57) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL3140172 0.79 MAPT (0.58) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9830217 0.78 MAPT (0.55) KMT2AMEN1KDM4EMAPTCXCR1
SCHEMBL6269870 0.78 KMT2A (0.55) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL7886661 0.77 KMT2A (0.62) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL6640610 0.77 KMT2A (0.57) KMT2AMEN1KDM4EMAPTPABPC1
SCHEMBL9829525 0.76 MAPT (0.53) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL6307266 0.76 CYP4F2 (0.56) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL29702259 0.76 CYP4F2 (0.56) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL9829498 0.76 SMN1; SMN2 (0.56) KMT2AMEN1KDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed