SCHEMBL8977488

SCHEMBL8977488

Nc1nc2ccc(C(N)C(=O)O)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
SCN4A P35499 2/20 0.60
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
PIK3CA P42336 1/20 0.49
PI4KA P42356 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
MAPT P10636 2/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49

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
Hydrochloric Acid SCHEMBL9619911 0.98 RAB9A (0.59) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL9619958 0.88 NPC1 (0.45) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL74053 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL143678 0.80 RAB9A (0.58) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL27527540 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL15887354 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL8122351 0.76 RAB9A (0.76) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL21177823 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL1309315 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2SCN4AHTT
SCHEMBL6714831 0.75 RAB9A (0.56) RAB9ANPC1SMN1; SMN2SCN4AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195947-B1 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1996-04-24 EP disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4973685-A PENICILLINS AND CEPHALOSPORINS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-27 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed