SCHEMBL7407290

SCHEMBL7407290

CN(C)C(=O)c1ccc(F)cc1-c1ccccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.44
TACR1 P25103 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.42
KEAP1 Q14145 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CTSA P10619 1/20 0.40
LMNA P02545 1/20 0.40
PDK2 Q15119 1/20 0.39
DHODH Q02127 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL8572558 0.84 MEN1 (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL7445918 0.82 MEN1 (0.86) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL7855886 0.82 MEN1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
Hydrogen Sulfide SCHEMBL28029146 0.81 MEN1 (0.83) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL23169604 0.80 MEN1 (0.74) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL30892695 0.80 MEN1 (0.74) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL6677412 0.79 MEN1 (1.00) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL30463435 0.79 MEN1 (1.00) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
Hydrochloric Acid SCHEMBL20578422 0.77 MEN1 (0.96) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1
SCHEMBL8572766 0.77 MEN1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO disclosed