SCHEMBL9834628

SCHEMBL9834628

CC(C)CNC(=O)COc1ccc(C2=NNC(=O)NC2C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
LMNA P02545 7/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL9836932 0.87 TSHR (0.43) SMN1; SMN2TSHRPDE4APDE4BPDE4C
SCHEMBL9837594 0.86 PDE3B (0.41) MAPTSMN1; SMN2TSHRPDE4APDE4B
SCHEMBL9835522 0.85 HPGD (0.45) SMN1; SMN2TSHRGAAPDE4APDE4B
SCHEMBL10475456 0.85 PDE3B (0.54) MAPTSMN1; SMN2TSHRPDE4APDE4B
SCHEMBL9836476 0.84 TDP1 (0.48) MAPTTSHRCYP2C19PDE4APDE4B
SCHEMBL9836412 0.83 ALDH1A1 (0.51) MAPTSMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL9835976 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHRPDE4APDE4BPDE4C
SCHEMBL9836049 0.82 MEN1 (0.50) MAPTSMN1; SMN2TSHRCYP1A2GAA
SCHEMBL10431228 0.81 ALDH1A1 (0.59) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL9835111 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2GAALMNAALDH1A1

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
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP claimed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US claimed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP claimed
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed