SCHEMBL21704252

SCHEMBL21704252

CS(=O)(=O)O[C@@H]1CCN(Cc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FKBP1A P62942 1/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL28657596 1.00 HDAC1 (0.44) HDAC1HDAC8HDAC6FKBP1AELANE
SCHEMBL18740361 1.00 HDAC1 (0.44) HDAC1HDAC8HDAC6FKBP1AELANE
SCHEMBL6157119 0.90 F10 (0.46) FKBP1AKMT2ARECQLSMN1; SMN2ALDH1A1
SCHEMBL31110438 0.88 KCNH2 (0.48)
SCHEMBL16874697 0.88 MAPT (0.42)
SCHEMBL18768514 0.88 MAPT (0.42)
SCHEMBL16874603 0.88 KCNH2 (0.48)
SCHEMBL16874601 0.88 KCNH2 (0.48)
SCHEMBL16874694 0.88 MAPT (0.42)
SCHEMBL18740387 0.86 KCNH2 (0.47) POLBALDH1A1

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
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed