SCHEMBL29152122

SCHEMBL29152122

Cc1ccc(-c2c3cc(C)c(C)cc3c(C#N)c3cc(C)c(C)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 5/20 0.44
▸ PDE1C Q14123 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ GRIA2 P42262 1/20 0.40
▸ GRIA4 P48058 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 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
SCHEMBL29152135 0.85 ALDH1A1 (0.45) PDE9AALDH1A1HPGDKDM4EMEN1
SCHEMBL29152142 0.79 PDE9A (0.56) PDE9APDE1CALDH1A1HPGDKDM4E
SCHEMBL16848658 0.72 LMNA (0.46) PDE9AALDH1A1HPGDKDM4EMEN1
SCHEMBL16848657 0.72 LMNA (0.46) PDE9AALDH1A1HPGDKDM4EMEN1
SCHEMBL5349611 0.71 LMNA (0.42) PDE9AALDH1A1HPGDKDM4EMEN1
SCHEMBL30662428 0.70 PDE9A (0.44) PDE9APDE1CALDH1A1HPGDKDM4E
SCHEMBL23525628 0.70 ALDH1A1 (0.48) PDE9APDE1CALDH1A1MEN1KMT2A
SCHEMBL30386269 0.70 ALDH1A1 (0.48) PDE9APDE1CALDH1A1MEN1KMT2A
SCHEMBL3950371 0.68 ALDH1A1 (0.42) PDE9APDE1CALDH1A1HPGDKDM4E
SCHEMBL13991784 0.68 ALDH1A1 (0.49) PDE9APDE1CALDH1A1HPGDKDM4E

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
CN-117164478-A Method for preparing anthracycline derivative 苏州大学 2023-12-05 — — CN disclosed
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