SCHEMBL22312019

SCHEMBL22312019

Cc1nc(NCC(=O)N(C)c2ccc(F)cc2)c(Cl)c(C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.40
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
LMNA P02545 1/20 0.35
FOLH1 Q04609 1/20 0.35
MLNR O43193 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL29472235 1.00 POLQ (0.40) POLQHSD17B10KDM4EGAAMAPT
SCHEMBL29472243 0.87 POLQ (0.52) POLQHSD17B10KDM4EGAAMAPT
SCHEMBL22312015 0.87 POLQ (0.52) POLQHSD17B10KDM4EGAAMAPT
SCHEMBL7498311 0.79 GPBAR1 (0.43) KDM4EMAPTTP53GPBAR1MLNR
SCHEMBL22289623 0.77 POLQ (0.53) POLQGAAMAPTTP53LMNA
SCHEMBL29472250 0.77 POLQ (0.53) POLQGAAMAPTTP53LMNA
SCHEMBL22312009 0.76 POLQ (0.52) POLQKDM4EGAAMAPTTP53
SCHEMBL7509248 0.75 TSHR (0.46) POLQHSD17B10KDM4EMAPTTP53
SCHEMBL22312028 0.75 POLQ (0.64) POLQHSD17B10KDM4EGAAMAPT
SCHEMBL22312046 0.74 POLQ (0.50) POLQKDM4EGAAMAPTLMNA

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-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed