SCHEMBL29976245

SCHEMBL29976245

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4c(c3)OCO4)c2)nc(S(=O)(=O)CCC(Cc2ccccc2F)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 4/20 0.37
▸ TP53 P04637 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ EGFR P00533 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL28910497 1.00 GNRHR (0.37) GNRHRTP53MAPTLMNANPSR1
SCHEMBL23897425 0.90 ALDH1A1 (0.34) GNRHRTP53MAPTLMNANPSR1
SCHEMBL19806107 0.89 GNRHR (0.36) GNRHRTP53MAPTALDH1A1HTT
SCHEMBL30526076 0.89 GNRHR (0.36) GNRHRTP53MAPTALDH1A1HTT
SCHEMBL28910485 0.89 GNRHR (0.34) GNRHRTP53
SCHEMBL29976113 0.89 GNRHR (0.34) GNRHRTP53
SCHEMBL19806023 0.86 GNRHR (0.36) GNRHRTP53MAPTLMNAALDH1A1
SCHEMBL29976275 0.86 GNRHR (0.36) GNRHRTP53MAPTLMNAALDH1A1
SCHEMBL19805644 0.85 TP53 (0.35) GNRHRTP53ALDH1A1KMT2AEGFR
SCHEMBL21019917 0.85 GNRHR (0.34) GNRHRTP53MAPTALDH1A1HTT

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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