SCHEMBL9302379

SCHEMBL9302379

CS(=O)(=O)OCCCN1COc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 2/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL9304584 0.96 MAOB (0.37) MAOBTSHRPKMKDM4EALDH1A1
SCHEMBL8980658 0.92 PKM (0.37) MAOBTSHRPKMALDH1A1ACHE
SCHEMBL9809777 0.82 MAOB (0.40) MAOBKDM4EALDH1A1MAPTRAB9A
SCHEMBL9809658 0.80 CASP3 (0.36) MAOBTSHRKDM4EALDH1A1ALOX15
SCHEMBL7386417 0.79 ALDH1A1 (0.46) TSHRKDM4EALDH1A1MAPTRAB9A
SCHEMBL8578943 0.77 PRMT5 (0.39) TSHRPKMKDM4EALDH1A1ALOX15
SCHEMBL13438368 0.77 TSHR (0.39) MAOBTSHRPKMKDM4EALOX15
SCHEMBL9303640 0.77 KMT2A (0.36) TSHRKDM4EALDH1A1LMNAMAPT
SCHEMBL8577745 0.77 KMT2A (0.48) MAOBTSHRALDH1A1ALOX15MAPT
SCHEMBL8980560 0.76 PKM (0.36) MAOBTSHRPKMKDM4EMAPT

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-5308844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT, ANALGESIC, HYPOTENSIVE AGENT PIERRE FABRE MEDICAMENT (FR) 1994-05-03 US disclosed