SCHEMBL9669752

SCHEMBL9669752

CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 12/20 0.46
HDAC3 O15379 9/20 0.46
HDAC2 Q92769 8/20 0.46
NCOR2 Q9Y618 5/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 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
SCHEMBL9669762 1.00 KDM4E (0.47) KDM4EKMT2AL3MBTL1HDAC1HDAC3
SCHEMBL9278830 0.80 IDO1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL9278837 0.80 IDO1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL4243159 0.80 MEN1 (0.55) KMT2AMAPK1DPP8DPP9DPP7
SCHEMBL10448121 0.80 MEN1 (0.55) KMT2AMAPK1DPP8DPP9DPP7
SCHEMBL6878531 0.79 MDM4 (0.65) KMT2AL3MBTL1HDAC1HDAC3HDAC2
SCHEMBL12260392 0.77 KCNQ2 (0.67) KMT2AL3MBTL1TSHRPOLB
SCHEMBL12310422 0.77 KCNQ2 (0.67) KMT2AL3MBTL1TSHRPOLB
SCHEMBL9744622 0.74 CTSS (0.55) KDM4EKMT2AHDAC1TSHRPOLB
Hydrochloric Acid SCHEMBL7278390 0.74 ALDH1A1 (0.47) KDM4EKMT2AL3MBTL1TSHRDPP8

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-0485458-A1 THIOACYLATING REAGENTS AND INTERMEDIATES, THIOPEPTIDES, AND METHODS FOR PREPARING AND USING SAME. IAF BIOCHEM INT (CA) 1992-05-20 EP claimed
WO-1991001976-A1 THIOACYLATING REAGENTS AND INTERMEDIATES, THIOPEPTIDES, AND METHODS FOR PREPARING AND USING SAME IAF BIOCHEM INTERNATIONAL INC. (CA) 1991-02-21 WO claimed