SCHEMBL28490658

SCHEMBL28490658

Nc1nc(-c2cccc(NC(=O)CCl)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
ALDH1A1 P00352 8/20 0.58
HTT P42858 6/20 0.58
LMNA P02545 5/20 0.58
RAB9A P51151 5/20 0.58
JAK3 P52333 2/20 0.58
MITF O75030 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.53
HRH4 Q9H3N8 1/20 0.52
FBP1 P09467 1/20 0.50
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HK1 P19367 1/20 0.49

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
SCHEMBL3140270 0.83 SMN1; SMN2 (0.65) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL28484582 0.79 JAK3 (0.64) MAPTALDH1A1HTTLMNAJAK3
SCHEMBL16404007 0.79 MAPT (0.56) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL7874987 0.77 ALDH1A1 (0.53) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL7121746 0.77 HDAC3 (0.63) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL4003283 0.74 MITF (0.72) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL25829360 0.74 ALDH1A1 (0.59) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL14317625 0.74 MAPT (0.56) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL8057745 0.74 MAPT (0.68) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL22822212 0.74 ALDH1A1 (0.65) MAPTALDH1A1HTTLMNARAB9A

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
CN-109456280-B 4-phenylthiazole-2-amine derivative containing urea structure and preparation method and application thereof 锦州医科大学 2020-11-10 CN claimed
CN-109456280-B 4-phenylthiazole-2-amine derivative containing urea structure and preparation method and application thereof 锦州医科大学 2020-11-10 CN disclosed