SCHEMBL11501890

SCHEMBL11501890

NC(=NC(=O)NCCCSc1ccccc1)NCCCCCCNC(N)=NC(=O)NCCCSc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 5/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 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
SCHEMBL11501821 0.78 L3MBTL1 (0.55) KMT2AMTNR1AMTNR1BNPC1RECQL
SCHEMBL6985119 0.76 HDAC3 (0.59) TDP1HSP90AA1RXFP1KMT2AHDAC3
SCHEMBL11668524 0.76 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11502078 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11312309 0.73 MTNR1A (0.81) TDP1HSP90AA1RXFP1KMT2AHDAC3
SCHEMBL11501889 0.70 KMT2A (0.47) TDP1HSP90AA1RXFP1KMT2AHDAC3
SCHEMBL3959624 0.69 ALDH1A1 (0.75) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11668328 0.69 KDM4E (0.48) KMT2AHDAC3HDAC1ALDH1A1SMN1; SMN2
SCHEMBL18393928 0.68 ACKR3 (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7751585 0.68 ALDH1A1 (0.44) TDP1HSP90AA1RXFP1KMT2AHDAC3

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-4163022-A ANTIPLAQUE AGENTS COOPER LABORATORIES, INC. (US) 1979-07-31 US claimed