SCHEMBL27748816

SCHEMBL27748816

CN(C)CCNC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KMT2A Q03164 4/20 0.44
CHRM1 P11229 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL30753853 0.94 KMT2A (0.45) EPHX2KMT2ACHRM1LMNAHTT
SCHEMBL14873810 0.85 KMT2A (0.42) KMT2ALMNAHTTDNM1ALDH1A1
SCHEMBL20393546 0.82 KDM4E (0.46) KMT2ACHRM1HTTDNM1ALDH1A1
SCHEMBL11020014 0.82 TSHR (0.51) EPHX2KMT2ACHRM1LMNAHTT
SCHEMBL4500837 0.82 KMT2A (0.41) EPHX2KMT2AHTTDNM1TDP1
SCHEMBL11032609 0.82 HTT (0.61) KMT2ACHRM1HTTPKMALDH1A1
SCHEMBL10673469 0.82 KMT2A (0.46) KMT2AHTTDNM1TDP1
SCHEMBL13160340 0.82 ALDH1A1 (0.49) KMT2ALMNAALDH1A1NPC1
SCHEMBL16132855 0.81 HRH3 (0.42) EPHX2KMT2ACHRM1DNM1TDP1
SCHEMBL1651682 0.79 LMNA (0.61) EPHX2KMT2ACHRM1LMNAHTT

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
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN disclosed