SCHEMBL11690451

SCHEMBL11690451

Cc1ccc(C(N)C(=O)S)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 7/20 0.41
STAT3 P40763 1/20 0.41
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37
CHRNA7 P36544 1/20 0.37
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP1 Q9C000 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL22255197 0.82 STAT3 (0.47) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL18133692 0.82 STAT3 (0.47) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL5300400 0.80 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL16750532 0.80 ALOX5 (0.50) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL987111 0.80 ALOX5 (0.50) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11728987 0.80 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL16287061 0.80 HSD17B10 (0.52) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL11216047 0.78 ALOX5 (0.44) ALOX5LMNAALDH1A1STAT3ACHE
SCHEMBL8974404 0.77 CYP2D6 (0.46) LMNACES2CES1SMN1; SMN2PKM
SCHEMBL7402773 0.76 KEAP1 (0.42) ALOX5LMNAALDH1A1STAT3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4016282-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3980792-A EFFECTIVE AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed
US-3978223-A UREIDOACETAMIDO-PENICILLINS FOR TREATING BACTERIAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3974140-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3959258-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3939149-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3936442-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed
US-3933795-A Ureidoacetamido-penicillins Konig, Hans-Bodo (DT) 1976-01-20 US disclosed