SCHEMBL24425463

SCHEMBL24425463

CNNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ITPR1 Q14643 1/20 0.45
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
MTNR1A P48039 8/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPY1R P25929 1/20 0.40
FAAH O00519 1/20 0.39
MTNR1B P49286 3/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
Methyl Alcohol SCHEMBL28963160 0.83 KMT2A (0.65) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL29369373 0.83 KMT2A (0.68) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL1714410 0.83 KMT2A (0.68) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL14940077 0.82 KMT2A (0.67) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL19786485 0.82 KMT2A (0.67) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL9911142 0.81 KMT2A (0.74) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL15732870 0.80 KMT2A (0.60) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL6282093 0.80 KMT2A (0.68) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL30730869 0.80 KMT2A (0.72) KMT2AMEN1ITPR1ALDH1A1HPGD
SCHEMBL113945 0.79 KMT2A (1.00) KMT2AMEN1ITPR1ALDH1A1HPGD

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-11333669-B2 Neutron encoded mass tags for analyte quantification WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-05-17 US disclosed