SCHEMBL10817552

SCHEMBL10817552

O=c1ncc(Cl)cn1COCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.47
▸ IDO1 P14902 2/20 0.43
▸ MAOB P27338 7/20 0.42
▸ MAOA P21397 1/20 0.42
▸ NR4A2 P43354 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL10737387 0.82 KDM4E (0.44) MAOBMAOAMAPTNPC1ALDH1A1
SCHEMBL10816686 0.81 L3MBTL1 (0.43) EGLN1NPC1ALDH1A1HPGDRAB9A
SCHEMBL10815000 0.80 RXRA (0.46) EGLN1MAOBMAOANPC1ALDH1A1
SCHEMBL11021894 0.78 ALKBH1 (0.41) IDO1MAOBMAOAMAPTNPC1
SCHEMBL10811050 0.78 EGLN1 (0.43) EGLN1IDO1MAOBMAOANR4A2
SCHEMBL11018085 0.74 RXRA (0.41) EGLN1MAPTNPBWR1S1PR1NPC1
SCHEMBL10811918 0.74 EGLN1 (0.39) EGLN1NPBWR1NPC1HPGDRAB9A
SCHEMBL27708411 0.71 IDO1 (0.72) IDO1MAOBNR4A2MAPTALDH1A1
SCHEMBL10815798 0.71 HTT (0.39) MAPTNPBWR1NPC1LMNACYP1A2
SCHEMBL10813995 0.70 GABRA1 (0.37) ALDH1A1LMNACYP1A2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087326-B1 SUBSTITUTED PYRIMIDIN-2-ONES AND THE SALTS THEREOF NYCOMED AS (NO) 1987-05-13 — — EP disclosed
US-4539324-A ANTICANCER AGENTS NYEGAARD & CO. A/S (NO) 1985-09-03 — — US disclosed
EP-0087326-A1 Substituted pyrimidin-2-ones and the salts thereof NYCOMED AS (NO) 1983-08-31 — — EP disclosed
Send feedback