SCHEMBL20830601

SCHEMBL20830601

CCc1ccc(CN(C)C)cc1CNC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LSS P48449 3/20 0.39
SETDB1 Q15047 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HTT P42858 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
SCHEMBL7977518 0.79 KMT2A (0.59) KMT2AHDAC1HDAC6LSSALDH1A1
SCHEMBL12522662 0.75 KMT2A (0.46) KMT2AHDAC1HDAC6CYP2C9ALOX15
SCHEMBL14533961 0.75 KMT2A (0.44) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL18630144 0.73 ALDH1A1 (0.49) KMT2AHDAC1HDAC6HSD17B10ALDH1A1
SCHEMBL11955054 0.72 HRH3 (0.43) KMT2ACYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL11049304 0.72 BACE1 (0.58) KMT2ACYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL14651452 0.71 SETDB1 (0.54) KMT2ASETDB1ALDH1A1RAB9AHTT
SCHEMBL28217034 0.70 HRH3 (0.54) KMT2ACYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL17123629 0.70 KMT2A (0.45) KMT2AHDAC1HDAC6HSD17B10SETDB1
SCHEMBL11193465 0.70 NQO2 (0.48) KMT2AALDH1A1MAPTPOLBRAB9A

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
EP-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed