SCHEMBL24879177

SCHEMBL24879177

O=C(Nc1ccc(-c2ccccc2)nc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 9/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ PTPN1 P18031 3/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ ROCK2 O75116 1/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ MGLL Q99685 1/20 0.44
▸ GABRA5 P31644 1/20 0.43
▸ PORCN Q9H237 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
SCHEMBL27789206 0.87 ROCK2 (0.62) WNT3AALDH1A1PTPN1PTPN2ROCK2
SCHEMBL20029254 0.82 ALDH1A1 (0.60) ALDH1A1PTPN1ROCK2MGLL
SCHEMBL20143373 0.79 ALDH1A1 (0.62) ALDH1A1MGLL
SCHEMBL4870704 0.76 PTPN1 (0.67) WNT3APTPN1PTPN2
SCHEMBL11057368 0.75 ALDH1A1 (0.59) ALDH1A1PTPN1
SCHEMBL9363349 0.75 POLB (0.73) ALDH1A1ROCK2
SCHEMBL24367126 0.74 ALDH1A1 (0.55) ALDH1A1
SCHEMBL70304 0.74 WNT3A (0.61) WNT3APTPN1PTPN2PORCN
SCHEMBL30338729 0.73 PTPN1 (0.63) WNT3AALDH1A1PTPN1PTPN2
SCHEMBL27851554 0.73 PTPN1 (0.63) WNT3APTPN1PTPN2

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-2023280294-A1 TARGET AND SMALL MOLECULE COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES OR CENTRAL NERVOUS SYSTEM INJURY 北京干细胞与再生医学研究院 2023-01-12 — — WO disclosed
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