SCHEMBL14980823

SCHEMBL14980823

Cc1cnc(NN)cc1I

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ NNMT P40261 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ UHRF1 Q96T88 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29431324 1.00 NOS3 (0.35) NOS3NOS1NOS2NNMTKDM4E
SCHEMBL20772266 0.83 NNMT (0.37) NOS3NOS1NOS2NNMTKDM4E
SCHEMBL3620179 0.80 NOS3 (0.50) NOS3NOS1NOS2NNMTKDM4E
SCHEMBL14980816 0.75 EGFR (0.33) KDM4EMAPTGAAMEN1LMNA
SCHEMBL22227214 0.75 CNR2 (0.36) NNMTKDM4EMAPTALDH1A1GAA
SCHEMBL31104512 0.75 CNR2 (0.36) NNMTKDM4EMAPTALDH1A1GAA
SCHEMBL20772244 0.75 NOS3 (0.35) NOS3NOS1NOS2NNMTKDM4E
SCHEMBL3619611 0.75 — —
SCHEMBL9108295 0.75 RAB9A (0.38) NNMTMAPTALDH1A1MEN1LMNA
SCHEMBL20861632 0.73 L3MBTL1 (0.53) KDM4EGAA

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-3917911-A1 15-PGDH INHIBITORS Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-08 — — EP disclosed
WO-2020160151-A1 15-PGDH INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-08-06 — — WO disclosed
WO-2020160151-A1 15-PGDH INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-08-06 — — WO disclosed
WO-2019043635-A1 D-AMINO ACID OXIDASE ACTIVITY INHIBITING COMPOUNDS RICHTER GEDEON NYRT. (HU) 2019-03-07 — — WO disclosed
EP-2546253-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2015-01-14 — — EP disclosed
EP-2084151-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2013-05-29 — — EP disclosed
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