SCHEMBL28600336

SCHEMBL28600336

CCCNc1c(C(=O)O)sc2ccccc12.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
LIMK1 P53667 1/20 0.48
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PRNP P04156 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 3/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
OGG1 O15527 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 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
SCHEMBL17973603 0.99 MCL1 (0.50) MCL1LIMK1MAPK1SMN1; SMN2HTT
SCHEMBL17960334 0.84 LMNA (0.58) LIMK1MAPK1SMN1; SMN2HTTLMNA
Lithium Ion SCHEMBL17960492 0.84 LIMK1 (0.47) MCL1LIMK1MAPK1SMN1; SMN2HTT
SCHEMBL9433865 0.77 LIMK1 (0.62) LIMK1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL15697522 0.76 MCL1 (0.54) MCL1LIMK1MAPK1SMN1; SMN2PRNP
SCHEMBL20937648 0.75 MCL1 (0.58) MCL1LIMK1MAPK1SMN1; SMN2PRNP
SCHEMBL11558126 0.75 MAPK1 (0.42) LIMK1MAPK1SMN1; SMN2HTTMAPT
SCHEMBL6652018 0.72 KDM4E (0.59) LIMK1MAPK1SMN1; SMN2LMNACD274
SCHEMBL8796666 0.71 CYP1A2 (0.56) MCL1LIMK1SMN1; SMN2HTTRXFP1
SCHEMBL4342220 0.71 NPC1 (0.54) MCL1LIMK1MAPK1SMN1; SMN2LMNA

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-107873023-B 3-alkyl-4-amido-bicyclo [4, 5, 0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2021-07-23 CN disclosed