SCHEMBL9303640

SCHEMBL9303640

Cc1ccc2c(c1)C(=O)N(CCOS(C)(=O)=O)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 7/20 0.35
ALDH1A1 P00352 7/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
RCE1 Q9Y256 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA4 P22748 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9302635 0.87 MAOB (0.36) MAPTALDH1A1LMNAPOLBTDP1
SCHEMBL9304354 0.86 ALDH1A1 (0.43) MAPTALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL8980658 0.84 PKM (0.37) ALDH1A1TSHR
SCHEMBL31562951 0.82 KMT2A (0.38) KMT2AMEN1CYP1A2CYP2C9MAPT
SCHEMBL6436979 0.82 ALDH1A1 (0.36) KMT2AMEN1CYP1A2CYP2C9MAPT
SCHEMBL9171003 0.81 MEN1 (0.41) KMT2AMEN1CYP1A2CYP2C9MAPT
SCHEMBL9809787 0.81 MEN1 (0.35) KMT2AMEN1KDM4E
SCHEMBL9174068 0.79 MEN1 (0.43) KMT2AMEN1CYP1A2CYP2C9MAPT
SCHEMBL9174767 0.79 KMT2A (0.43) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL9302379 0.77 MAOB (0.36) KMT2AMEN1MAPTALDH1A1LMNA

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