SCHEMBL19968008

SCHEMBL19968008

Cc1nc(Cl)ccc1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.56
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
SPR P35270 1/20 0.43
HDAC4 P56524 1/20 0.42

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
SCHEMBL18823266 0.80 POLB (0.48) MEN1KMT2APOLBCKS1BSKP1
SCHEMBL31173930 0.80 POLB (0.48) MEN1KMT2APOLBCKS1BSKP1
SCHEMBL26029492 0.76 NR1H2 (0.53) MEN1KMT2APOLBCKS1BSKP1
SCHEMBL30478271 0.76 POLB (0.49) MEN1KMT2APOLBPARP1MAPT
SCHEMBL25738732 0.76 POLB (0.49) MEN1KMT2APOLBPARP1MAPT
SCHEMBL12833233 0.75 POLB (0.75) MEN1KMT2APOLBPARP1GPR119
SCHEMBL29268414 0.75 KMT2A (0.58) MEN1KMT2APOLBMAPTGPR119
SCHEMBL3068899 0.75 KMT2A (1.00) MEN1KMT2APOLBLMNAHDAC4
SCHEMBL29405584 0.74 HSP90AA1 (0.40) MEN1KMT2ATP53LMNASPR
SCHEMBL19968019 0.74 HSP90AA1 (0.40) MEN1KMT2ATP53LMNASPR

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
WO-2018045956-A1 BENZIMIDAZOLE COMPOUND KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-03-15 WO disclosed