SCHEMBL22987344

SCHEMBL22987344

CCNC(=O)CCC(C)(C)SSC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
CAPN1 P07384 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14430826 0.83 CASP2 (0.47) FAAHL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL23986767 0.82 RECQL (0.56) L3MBTL1GAARECQLALDH1A1TSHR
SCHEMBL17570975 0.80 RECQL (0.37) FAAHGAARECQLALDH1A1KMT2A
SCHEMBL17570983 0.77 RECQL (0.39) GAARECQL
SCHEMBL16472228 0.77 EPHX2 (0.35) KMT2ATSHR
SCHEMBL16710720 0.76 FAAH (0.53) FAAH
SCHEMBL9483993 0.76 FAAH (0.50) FAAHMCL1L3MBTL1GAARECQL
SCHEMBL16472227 0.75 LMNA (0.33) RECQLALDH1A1KMT2ATSHRLMNA
SCHEMBL21012621 0.75 TSHR (0.48) GAARECQLALDH1A1KMT2ATSHR
SCHEMBL19456828 0.75 TDP1 (0.36) ALDH1A1

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
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed