SCHEMBL24801293

SCHEMBL24801293

Bc1cccc(CO)c1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.37
CHRNE Q04844 1/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HSPA5 P11021 1/20 0.31
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
PTGS1 P23219 1/20 0.30
ADORA1 P30542 1/20 0.30
PTGS2 P35354 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL15390567 0.83 APOBEC3G (0.44) APOBEC3GCHRNEPDCD1CD274LMNA
SCHEMBL720119 0.76 CYP3A4 (0.43) APOBEC3GCHRNEPDCD1CD274GABRA1
SCHEMBL14534162 0.76 KDM4E (0.39) APOBEC3GCHRNEPDCD1CD274LMNA
SCHEMBL12319786 0.75
SCHEMBL11744835 0.74 PNMT (0.43) APOBEC3GCHRNEPDCD1CD274
SCHEMBL3167058 0.74 G6PD (0.43) APOBEC3GCHRNEPDCD1CD274HSPA5
SCHEMBL31033256 0.74 G6PD (0.43) APOBEC3GCHRNEPDCD1CD274HSPA5
SCHEMBL10278897 0.74
SCHEMBL17549431 0.73 GABRA1 (0.50) APOBEC3GCHRNEPDCD1CD274LMNA
SCHEMBL2717078 0.73 TAAR1 (0.41) APOBEC3GCHRNEPDCD1CD274ADORA1

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-2022272036-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed