SCHEMBL7719310

SCHEMBL7719310

O=S(=O)(Nc1cc[c]cc1)c1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 15/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SLC40A1 Q9NP59 1/20 0.56
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC22A12 Q96S37 1/20 0.53
PPARG P37231 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48

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
SCHEMBL1413883 0.80 ALPL (0.79) ALPLKDM4EALDH1A1RAB9AKMT2A
SCHEMBL8795088 0.78 HTR6 (0.61) ALPLKDM4EALDH1A1SLC40A1RAB9A
SCHEMBL15480556 0.78 HDAC6 (0.59) ALPLKDM4EALDH1A1SLC40A1RAB9A
SCHEMBL5037030 0.78 ATM (0.68) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3061828 0.76 ALPL (0.62) ALPLKDM4EALDH1A1SLC40A1RAB9A
SCHEMBL2372613 0.76 SLC40A1 (0.57) ALPLKDM4EALDH1A1SLC40A1RAB9A
SCHEMBL2055422 0.75 ALPL (0.67) ALPLKDM4EALDH1A1RAB9AKMT2A
SCHEMBL194421 0.73 KEAP1 (0.73) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL3448350 0.72 ALPL (0.67) ALPLKDM4EALDH1A1RAB9AKMT2A
SCHEMBL11973786 0.72 SLC40A1 (1.00) ALDH1A1SLC40A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355805-B1 MULTIBINDING COMPOUNDS USEFUL IN TREATMENT AND PREVENTION OF METABOLIC DISORDERS SUCH AS OBESITY AND DIABETES ADVANCED MEDICINE, INC. 2002-03-12 US disclosed