SCHEMBL28028261

SCHEMBL28028261

CC/C=N/NC(=O)c1cc2cc(NC(C)=O)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.59
HDAC2 Q92769 1/20 0.47
GUSB P08236 8/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 1/20 0.44
NPC1 O15118 2/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL28028262 1.00 MMP13 (0.59) MMP13HDAC2GUSBMEN1KMT2A
SCHEMBL28028260 0.87 MAOA (0.58) HDAC2GUSBMEN1KMT2APOLB
SCHEMBL28028263 0.87 MAOA (0.58) HDAC2GUSBMEN1KMT2APOLB
SCHEMBL28028735 0.80 MMP13 (0.66) MMP13HDAC2MEN1KMT2APOLB
SCHEMBL3027767 0.76 MMP13 (0.67) MMP13KMT2APOLBKDM4EMAPT
SCHEMBL28028264 0.75 KMT2A (0.74) MEN1KMT2APOLBATMNPC1
SCHEMBL28028265 0.75 KMT2A (0.74) MEN1KMT2APOLBATMNPC1
SCHEMBL6514040 0.74 MMP13 (1.00) MMP13MEN1KMT2AATMNPC1
SCHEMBL28229577 0.72 TP53 (0.56) MMP13HDAC2KMT2APOLBNPC1
SCHEMBL6015700 0.70 MAOB (0.67) MMP13MEN1KMT2ANPC1KDM4E

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
CN-104860866-B 5- (substitution carbon acylamino) -1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN disclosed
CN-104860866-A 5-(substituted carbonylamino)-1H-indole-2-carbohydrazide derivatives as well as preparation method and application thereof UNIV XIAMEN 2015-08-26 CN disclosed