SCHEMBL10691569

SCHEMBL10691569

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)N3CC3)cn2C)cn1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
NAMPT P43490 9/20 0.51
HRAS P01112 3/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
TOP1 P11387 2/20 0.46
PRKCA P17252 3/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
FAAH O00519 1/20 0.41

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
SCHEMBL10691121 1.00 HDAC1 (0.55) HDAC1HDAC2HDAC8NAMPTHRAS
Hydrochloric Acid SCHEMBL10691977 0.99 HDAC1 (0.54) HDAC1HDAC2HDAC8NAMPTHRAS
Hydrochloric Acid SCHEMBL10693590 0.99 HDAC1 (0.54) HDAC1HDAC2HDAC8NAMPTHRAS
SCHEMBL5447288 0.86 HDAC1 (0.56) HDAC1HDAC2HDAC8NAMPTHRAS
SCHEMBL2398688 0.84 HDAC1 (0.54) HDAC1HDAC2HDAC8NAMPTHRAS
SCHEMBL14355720 0.84 HDAC1 (0.54) HDAC1HDAC2HDAC8NAMPTHRAS
SCHEMBL18089498 0.84 HDAC1 (0.54) HDAC1HDAC2HDAC8NAMPTHRAS
SCHEMBL27282459 0.84 TOP1 (0.49) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL27281179 0.84 TOP1 (0.49) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL10694165 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC8NAMPTHRAS

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-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 US disclosed