SCHEMBL29134601

SCHEMBL29134601

O=C(Nc1cc(-c2cccs2)ccc1O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.57
HDAC3 O15379 6/20 0.57
KCNMA1 Q12791 3/20 0.57
HDAC2 Q92769 8/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
PRSS12 P56730 1/20 0.49
ERN1 O75460 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4581098 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL31109034 0.76 HDAC1 (0.56) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL25268984 0.74 HDAC1 (0.55) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL330966 0.74 PTPN1 (0.60) ERN1
SCHEMBL2276911 0.74 HDAC1 (0.73) HDAC1HDAC3HDAC2PRSS12MEN1
SCHEMBL20442280 0.73 KCNMA1 (0.64) HDAC1KCNMA1NPC1LMNATP53
SCHEMBL845142 0.73 LMNA (1.00) KCNMA1NPC1LMNATP53GAA
SCHEMBL29276645 0.73 KCNMA1 (0.68) HDAC1KCNMA1NPC1LMNATP53
SCHEMBL127201 0.73 P2RX1 (0.63) MEN1KMT2A
SCHEMBL1318978 0.72 HDAC1 (0.47) HDAC1HDAC3HDAC2GAAPRSS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045683-B Cell therapy method for repairing spinal cord injury by using neural stem cells 北京国卫生物科技有限公司 2023-12-26 CN disclosed
CN-117045680-B Stem cell preparation for promoting liver regeneration and preparation method thereof 北京国卫生物科技有限公司 2023-12-08 CN disclosed
CN-117045680-A Stem cell preparation for promoting liver regeneration and preparation method thereof 北京国卫生物科技有限公司 2023-11-14 CN disclosed
CN-117045683-A Novel cell therapy method for repairing spinal cord injury by using neural stem cells 北京国卫生物科技有限公司 2023-11-14 CN disclosed