SCHEMBL29290403

SCHEMBL29290403

C=C(C)C(=O)NCCCNC(=O)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 1/20 0.48
NAAA Q02083 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 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
SCHEMBL15768755 0.94 LMNA (0.49) HDAC1NPC1RAB9AKMT2ANAAA
SCHEMBL15768756 0.94 LMNA (0.49) HDAC1NPC1RAB9AKMT2ANAAA
SCHEMBL6135253 0.87 NPC1 (0.61) HDAC1NPC1RAB9ANAAASMN1; SMN2
SCHEMBL82458 0.85 NPC1 (0.55) HDAC1NPC1RAB9AKMT2ANAAA
SCHEMBL28063078 0.84 NAAA (0.64) HDAC1NPC1RAB9ANAAASMN1; SMN2
SCHEMBL24183807 0.83 ALDH1A1 (0.50) HDAC1NPC1RAB9ANAAASMN1; SMN2
SCHEMBL28642370 0.83 NPC1 (0.56) NPC1RAB9AKMT2ASMN1; SMN2HDAC2
SCHEMBL22373760 0.81 LMNA (0.62) HDAC1NPC1RAB9AKMT2ANAAA
SCHEMBL25341219 0.81 NPC1 (0.50) HDAC1NPC1RAB9AKMT2ANAAA
SCHEMBL1927947 0.79 HDAC1 (0.62) HDAC1NPC1RAB9AKMT2ANAAA

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
CN-113617403-A Novel micro-fluidic chip of unicellular western blot 上海交通大学 2021-11-09 CN disclosed