SCHEMBL9813647

SCHEMBL9813647

CC1CC(C)(C)NC(C)(C)C1.O=C(O)Nc1cccc2c(NC(=O)O)cccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
EZH2 Q15910 3/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL10679466 1.00 KMT2A (0.44) KMT2APOLBGAAEZH2HTT
SCHEMBL9813680 0.92 KMT2A (0.52) KMT2AGAAKDM4EMEN1MAPT
SCHEMBL10680690 0.77 HSD17B10 (0.42) KMT2APOLBHTTKDM4EMEN1
SCHEMBL9813714 0.77 HSD17B10 (0.42) KMT2APOLBHTTKDM4EMEN1
SCHEMBL14549202 0.76 KDM4E (0.52) KMT2APOLBGAAKDM4EMEN1
SCHEMBL9813708 0.74 P2RX7 (0.43) KMT2APOLBGAAHTTMEN1
Hydrochloric Acid SCHEMBL11403968 0.74 KDM4E (0.50) KMT2APOLBGAAKDM4EMEN1
Naphthoic Acid SCHEMBL9813601 0.73 KMT2A (0.62) KMT2APOLBGAAEZH2HTT
SCHEMBL10679780 0.73 EZH2 (0.51) KMT2APOLBEZH2MEN1L3MBTL1
SCHEMBL10682367 0.73 KMT2A (0.44) KMT2APOLBGAAEZH2HTT

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-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP disclosed
EP-0163245-A2 Derivatives of alkyl-substituted 4-hydroxy-methyl-piperidine and use thereof as stabilizers AUSIMONT S.r.l. (IT) 1985-12-04 EP disclosed