SCHEMBL8977465

SCHEMBL8977465

Nc1ccc2nc(NCC(=O)O)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GFER P55789 2/20 0.54
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 5/20 0.48
GAA P10253 4/20 0.48
LMNA P02545 1/20 0.48
CLK1 P49759 1/20 0.48
GLA P06280 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL27839973 0.83 DYRK1A (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4488488 0.82 HDAC6 (0.50) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL21588479 0.79 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6640386 0.79 POLB (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7984841 0.79 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5256491 0.77 ROCK2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18384865 0.77 RIPK1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL758050 0.77 CLK1 (0.78) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12297548 0.76 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5216052 0.76 RIPK1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 4 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-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