SCHEMBL29686758

SCHEMBL29686758

COC(=O)Cn1nc(C)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 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
SCHEMBL22118978 0.86 TSHR (0.48) LMNAGAACYP1A2CYP2C19KDM4E
SCHEMBL22121370 0.84 KDM4E (0.44) LMNAGAAKDM4EALDH1A1PKM
SCHEMBL14097078 0.83 LMNA (0.68) LMNAGAAKDM4EALDH1A1PKM
SCHEMBL20037188 0.81 LMNA (0.66) LMNAGAACYP1A2KDM4EALDH1A1
SCHEMBL6516159 0.79 ALDH1A1 (0.47) LMNAGAACYP1A2CYP2C19KDM4E
SCHEMBL15931406 0.79 LMNA (0.45) LMNAGAACYP1A2CYP2C19KDM4E
SCHEMBL710008 0.78 MAPT (0.56) LMNAGAAKDM4EALDH1A1PKM
SCHEMBL2518853 0.77 HCAR3 (0.45) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL22151650 0.77 KDM4E (0.41) LMNAGAAKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL8048126 0.76 MAPT (0.55) LMNAGAAKDM4EALDH1A1PKM

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
CN-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 CN disclosed