SCHEMBL7533495

SCHEMBL7533495

CCOC(=O)c1cnc2cc3c(cc2c1N1CCN(C)CC1)N(Cc1ccccc1)CC3

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPK10 P53779 1/20 0.61
ALDH1A1 P00352 3/20 0.58
MAPT P10636 6/20 0.54
NPSR1 Q6W5P4 4/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
PDGFRB P09619 2/20 0.53
ADORA2A P29274 1/20 0.51
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL8114579 0.95 MEN1 (0.60) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL8112067 0.89 MAPT (0.49) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL27553167 0.86 MEN1 (0.46) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL8119108 0.84 MAPT (0.47) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL27486435 0.77 MAPT (0.77) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL8117765 0.74 ALK (0.43) ALDH1A1GAAHTTKDM4E
SCHEMBL27573252 0.74 NPSR1 (0.40) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL31457176 0.71 ADORA2A (0.67) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL6180465 0.70 HTR1A (0.59)
SCHEMBL8103974 0.69 ALK (0.42) ALDH1A1GAAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed
EP-1047691-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
WO-1999031086-A1 QUINOLINEPIPERAZINE AND QUINOLINEPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS COMBINED 5-HT1A, 5-HT1B AND 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed