SCHEMBL9835111

SCHEMBL9835111

COc1ccc(CCNC(=O)COc2ccc(C3=NNC(=O)NC3C)cc2Cl)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 4/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 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
SCHEMBL9836412 0.89 ALDH1A1 (0.51) ALDH1A1LMNAGAASMN1; SMN2PKM
SCHEMBL10474223 0.87 PDE3B (0.56) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL9836932 0.86 TSHR (0.43) ALDH1A1LMNASMN1; SMN2PKMBCHE
SCHEMBL10763649 0.84 TP53 (0.40) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL9835522 0.83 HPGD (0.45) ALDH1A1LMNAGAAKMT2ASMN1; SMN2
SCHEMBL10431228 0.83 ALDH1A1 (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2PKM
SCHEMBL9835976 0.82 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2USP2
SCHEMBL9834628 0.81 MAPT (0.43) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL9837594 0.81 PDE3B (0.41) ALDH1A1LMNAKMT2ASMN1; SMN2PKM
SCHEMBL9835458 0.79 PDE4A (0.40) ALDH1A1LMNAKMT2AMAPTTP53

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 8 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
JP-63119475-A None JP disclosed
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
JP-S63119475-A 1,2,4-TRIAZINONE DERIVATIVE SANKYO CO LTD 1988-05-24 JP disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed