SCHEMBL30379200

SCHEMBL30379200

C1=Nc2ccccc2N(Cc2ccccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HRH1 P35367 2/20 0.36
▸ TRPV6 Q9H1D0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
Hydrochloric Acid SCHEMBL18730111 0.74 DDB1 (0.50) SIRT1DDB1CRBNKMT2ACYP1A2
SCHEMBL30641516 0.73 LMNA (0.42) CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL28204625 0.73 SIRT1 (0.44) SIRT1DDB1CRBNKMT2ACYP1A2
SCHEMBL29489082 0.72 SIRT2 (0.44) SIRT1ALDH1A1KDM4ENPSR1SCN9A
SCHEMBL31202630 0.70 BRD4 (0.45) SIRT1KDM4ELMNA
SCHEMBL31202624 0.69 CYP1A2 (0.42) KMT2ACYP1A2ALDH1A1MEN1L3MBTL1
SCHEMBL28490956 0.69 DDB1 (0.56) SIRT1DDB1CRBNKMT2ACYP1A2
SCHEMBL9497270 0.68 KDM4E (0.39) KMT2ACYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL10715285 0.67 ALDH1A1 (0.56) DDB1CRBNKMT2AALDH1A1MEN1
SCHEMBL30910106 0.67 DDB1 (0.50) SIRT1DDB1CRBNKMT2ACYP1A2

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-2023239227-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 사피엔스바이오 2023-12-14 — — WO disclosed
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