SCHEMBL6995452

SCHEMBL6995452

CC(=O)ON1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HSD17B3 P37058 1/20 0.45

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
SCHEMBL27761216 0.90 NOTUM (0.57) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL27465095 0.87 SMN1; SMN2 (0.57) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4688756 0.85 SMN1; SMN2 (0.56) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL20869536 0.84 NOTUM (0.53) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29997798 0.81 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL11551815 0.81 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8471853 0.81 NOTUM (0.49) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL28965840 0.78 TSHR (0.50) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4983966 0.77 NOTUM (0.47) NOTUMSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL27652751 0.77 KMT2A (0.53) NOTUMSMN1; SMN2TSHRMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105934246-B Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2019-10-22 CN claimed
CN-105934246-A Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2016-09-07 CN claimed
CN-105934246-B Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2019-10-22 CN disclosed
CN-105934246-A Tetrahydroquinoline compositions as BET bromodomain inhibitors 福马疗法公司 2016-09-07 CN disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed