SCHEMBL27640558

SCHEMBL27640558

CCCC(=N)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
CYP4A11 Q02928 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP4F2 P78329 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 5/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL5647077 0.83 LOXL2 (0.56) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL21169876 0.83 LOXL2 (0.56) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL5635456 0.80 LOXL2 (0.59) LOXL2CYP4A11MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL28785128 0.79 HSD17B3 (0.37) RAB9ANPC1SMN1; SMN2GAAPOLB
SCHEMBL2699985 0.78 LOXL2 (0.62) LOXL2CYP4A11MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL26962331 0.78 LOXL2 (0.58) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL5649108 0.77 LOXL2 (0.53) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL3520542 0.77 LOXL2 (0.53) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL20259350 0.77 LOXL2 (0.66) LOXL2CYP4A11MEN1KMT2AMAPK1
SCHEMBL24258017 0.77 LOXL2 (0.56) LOXL2CYP4A11MEN1KMT2AMAPK1

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
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed