SCHEMBL9809554

SCHEMBL9809554

CCC(NC(=O)c1cccnc1)NC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TP53 P04637 2/20 0.57
ECE1 P42892 1/20 0.57
THRB P10828 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
GAA P10253 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HIF1A Q16665 1/20 0.53
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52

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
Nitric Acid SCHEMBL10435217 0.92 MEN1 (0.51) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL24267375 0.87 ECE1 (0.60) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL29995369 0.87 ECE1 (0.60) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL21467402 0.86 LMNA (0.67) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL24567733 0.86 LMNA (0.67) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL28152984 0.84 SMN1; SMN2 (0.54) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL16322351 0.83 ECE1 (0.56) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL8221634 0.83 GPR132 (0.64) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL28865879 0.83 ECE1 (0.56) HDAC1HDAC6RAB9AALDH1A1LMNA
SCHEMBL1106964 0.81 HDAC1 (0.62) HDAC1HDAC6RAB9AALDH1A1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 EP claimed
CN-112226197-B Modified silicone sealant for treating asphalt pavement cracks and preparation method thereof 重庆重交再生资源开发股份有限公司 2022-04-22 CN disclosed
CN-112226197-A Modified silicone sealant for treating asphalt pavement cracks and preparation method thereof 重庆重交再生资源开发股份有限公司 2021-01-15 CN disclosed
EP-0376185-A3 PROCESS FOR PURIFICATION OF 1,2-BIS(NICOTINAMIDO)PROPANE Chugai Seiyaku Kabushiki Kaisha (JP) 1991-03-27 EP disclosed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 EP disclosed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 EP disclosed