SCHEMBL27301975

SCHEMBL27301975

CCCCCCCCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(C)nc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.42
IDH1 O75874 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR2 P41597 1/20 0.37

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
SCHEMBL27508948 1.00 KMT2A (0.50) KMT2AMAPTHTTMEN1IDH1
SCHEMBL27299978 1.00 KMT2A (0.50) KMT2AMAPTHTTMEN1IDH1
SCHEMBL27328016 1.00 KMT2A (0.50) KMT2AMAPTHTTMEN1IDH1
SCHEMBL27306208 1.00 KMT2A (0.50) KMT2AMAPTHTTMEN1IDH1
SCHEMBL27312247 0.99 KMT2A (0.49) KMT2AMAPTHTTMEN1IDH1
SCHEMBL27311093 0.99 KMT2A (0.49) KMT2AMAPTHTTMEN1IDH1
SCHEMBL30172 0.99 KMT2A (0.51) KMT2AMAPTHTTMEN1IDH1
SCHEMBL7910394 0.99 KMT2A (0.51) KMT2AMAPTHTTMEN1IDH1
SCHEMBL7908294 0.95 KMT2A (0.52) KMT2AMAPTHTTMEN1IDH1
SCHEMBL7908296 0.95 KMT2A (0.52) KMT2AMAPTHTTMEN1IDH1

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-1037334-A Pyridine derivate MERCK PATENT GMBH (DE) 1989-11-22 CN disclosed