SCHEMBL3369044

SCHEMBL3369044

CCOc1cc(CNC(=O)CN2C(=O)Cc3cc(Cl)ccc32)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 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
SCHEMBL661501 0.91 CYP1A2 (0.49) TSHRNPSR1MEN1KMT2AHPGD
SCHEMBL664081 0.78 NPC1 (0.49) TP53LMNAMAPTMEN1KMT2A
SCHEMBL27845679 0.77 THRB (0.47) TP53LMNAMAPTKMT2AHPGD
SCHEMBL662812 0.77 ALDH1A1 (0.53) TSHRSMN1; SMN2LMNAKMT2AHPGD
SCHEMBL27633504 0.76 USP2 (0.49) TSHRNPSR1TP53SMN1; SMN2LMNA
SCHEMBL29725710 0.76 USP2 (0.49) TSHRNPSR1TP53SMN1; SMN2LMNA
SCHEMBL29868953 0.76 LMNA (0.60) TSHRTP53SMN1; SMN2LMNAMAPT
SCHEMBL662407 0.76 LMNA (0.60) TSHRTP53SMN1; SMN2LMNAMAPT
SCHEMBL662880 0.75 MAPT (0.54) TSHRNPSR1SMN1; SMN2LMNAMAPT
SCHEMBL30361168 0.75 MAPT (0.54) TSHRNPSR1SMN1; SMN2LMNAMAPT

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-1620399-B1 INDOLONE-ACETAMIDE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2010-09-22 EP claimed