SCHEMBL11527240

SCHEMBL11527240

Cc1onc(-c2c(Cl)cccc2Cl)c1C[C]=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.48
SCN9A Q15858 3/20 0.47
SCN5A Q14524 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL11234151 0.84 PTGS1 (0.54) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL2304253 0.81 L3MBTL1 (0.59) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL12168915 0.81 TDP1 (0.55) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL3451972 0.80 ALDH1A1 (0.57) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL5511257 0.80 TDP1 (0.54) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL22790344 0.79 TDP1 (0.54) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL22790395 0.79 TDP1 (0.53) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL1283334 0.77 ALDH1A1 (0.61) L3MBTL1TDP1TSHRALDH1A1MAPT
SCHEMBL10780275 0.77 ALDH1A1 (0.58) TDP1ALDH1A1LMNAGAANPSR1
SCHEMBL8315807 0.77 TSHR (0.57) L3MBTL1TDP1TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4171439-A Antibacterial analogs of isocephalosporins BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US disclosed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US disclosed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US disclosed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US disclosed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-4068078-A ANTIBIOTICS BRISTOL-MYERS CORPORATION (US) 1978-01-10 US disclosed
US-4068075-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068080-A BETA-LACTAM ANTIBIOTICS, CEPHALOSPORIN ANALOGS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068066-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4066832-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed