SCHEMBL10968835

SCHEMBL10968835

[NH]C(=O)CSc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL632287 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL10971632 0.81 CA2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL11217368 0.79 RAB9A (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL941105 0.79 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL11212864 0.79 ALDH1A1 (0.50) SMN1; SMN2KMT2AALDH1A1NPC1POLB
SCHEMBL11218295 0.79 KMT2A (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL11212921 0.79 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL10368187 0.79 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL1170309 0.78 FFAR1 (0.68) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL3181896 0.78 HDAC3 (0.68) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060119-B1 AZETIDINONE COMPOUNDS AND THEIR PREPARATION ELI LILLY AND COMPANY (US) 1985-04-10 — — EP disclosed
US-4500456-A AND AZETIDINONE-4-SULFINIC ACID, OR SALT THEREOF ELI LILLY AND COMPANY (US) 1985-02-19 — — US disclosed
EP-0019401-B1 PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN Lilly Industries Limited (GB) 1984-03-21 — — EP disclosed
EP-0060119-A1 Azetidinone compounds and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 — — EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 — — US disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 — — US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 — — EP disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 — — US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 — — US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 — — US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 — — US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 — — US disclosed
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