SCHEMBL31037477

SCHEMBL31037477

NC(=O)c1ccc(C#Cc2cc([N+](=O)[O-])ccc2-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CDC7 O00311 3/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ CYP19A1 P11511 3/20 0.40
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.38

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
SCHEMBL31037365 0.83 MAPK14 (0.51) LMNACYP19A1CYP11B1CYP11B2CASP3
SCHEMBL30009929 0.77 TSHR (0.79) TSHRGAALMNAL3MBTL1CASP3
SCHEMBL31037320 0.77 MAPT (0.47) LMNAL3MBTL1NAMPTMAPTALDH1A1
SCHEMBL31037476 0.71 CASP3 (0.48) LMNACASP3SENP8SENP7SENP6
SCHEMBL16810270 0.70 MYC (0.68) TSHRGAALMNAL3MBTL1CDC7
SCHEMBL31037308 0.70 MAPK14 (0.40) LMNACYP19A1CYP11B1CYP11B2CASP3
SCHEMBL31037362 0.69 CYP19A1 (0.52) TSHRGAALMNACYP19A1CYP11B1
Terephthalamide SCHEMBL27950892 0.68 TSHR (1.00) TSHRGAALMNAL3MBTL1ALDH1A1
SCHEMBL260727 0.68 TSHR (1.00) TSHRGAALMNAL3MBTL1ALDH1A1
SCHEMBL27863850 0.67 CHEK2 (0.60) CDC7CHEK2MYC

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-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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