SCHEMBL20142844

SCHEMBL20142844

Cc1cccc(Nc2nc(N(C)C)c(C(=O)c3ccc(Cl)cc3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CHRNA7 P36544 1/20 0.48
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
CDK5 Q00535 3/20 0.47
CDK5R1 Q15078 3/20 0.47
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KCNK3 O14649 1/20 0.45
HTT P42858 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL20142836 0.91 CCNA2 (0.58) MAPTRAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL20142179 0.87 GSK3A (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20142492 0.87 GSK3A (0.57) MAPTRAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL20142368 0.85 MAPT (0.70) MAPTRAB9ASMN1; SMN2LMNATP53
SCHEMBL20142094 0.82 RAB9A (0.50) MAPTRAB9ASMN1; SMN2KDM4ECHRNA7
SCHEMBL20142860 0.81 MEN1 (0.63) MAPTLMNANPC1CDK5CDK5R1
SCHEMBL20142841 0.78 MAPT (0.63) MAPTRAB9ASMN1; SMN2LMNATP53
SCHEMBL20142409 0.76 GSK3A (0.53) MAPTRAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL20142432 0.75 CCNA2 (0.80) MAPTRAB9ALMNATP53CHRNA7
SCHEMBL20142185 0.75 CDK5 (0.60) MAPTLMNANPC1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed