SCHEMBL5644663

SCHEMBL5644663

CC(NC(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ LMNA P02545 4/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.88
▸ NPC1 O15118 1/20 0.71
▸ POLB P06746 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ ROCK2 O75116 1/20 0.64
▸ RPS6KA5 O75582 1/20 0.64
▸ MAP4K4 O95819 1/20 0.64
▸ CDK1 P06493 1/20 0.64
▸ CSF1R P07333 1/20 0.64
▸ PRKACA P17612 1/20 0.64
▸ FLT1 P17948 1/20 0.64
▸ RPS6KB1 P23443 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ AKT1 P31749 1/20 0.64
▸ FLT4 P35916 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ FLT3 P36888 1/20 0.64

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
SCHEMBL28640277 0.93 SMN1; SMN2 (1.00) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL1101522 0.88 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL5968858 0.88 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL751213 0.88 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL17369057 0.85 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL3755011 0.85 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL2919150 0.85 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL3756762 0.85 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL13947536 0.85 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2NPC1POLB
SCHEMBL2407415 0.83 SMN1; SMN2 (0.77) ALDH1A1LMNASMN1; SMN2NPC1POLB

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
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
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