SCHEMBL10811972

SCHEMBL10811972

O=c1ncc(Br)cn1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK14 Q16539 5/20 0.39
▸ TSHR P16473 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ MAOB P27338 1/20 0.36
▸ ALKBH1 Q13686 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ APOBEC3A P31941 2/20 0.34
▸ TK1 P04183 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10816686 0.83 L3MBTL1 (0.43) ALDH1A1MAPK14TSHREGLN1ALKBH1
SCHEMBL10811050 0.72 EGLN1 (0.43) MAPK14EGLN1MAOBALKBH1RAB9A
SCHEMBL10742364 0.70 CYP1A2 (0.43) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL10733734 0.70 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1L3MBTL1MKNK1
SCHEMBL10816545 0.69 EGLN1 (0.41) MAPK14EGLN1MAOBALKBH1RAB9A
SCHEMBL10814782 0.69 EGLN1 (0.41) MAPK14EGLN1MAOBALKBH1PKM
SCHEMBL10811918 0.69 EGLN1 (0.39) EGLN1ALKBH1RAB9ASMN1; SMN2NPC1
SCHEMBL11018085 0.69 RXRA (0.41) ALDH1A1TSHREGLN1PKMRAB9A
SCHEMBL10815000 0.68 RXRA (0.46) ALDH1A1EGLN1MAOBALKBH1RAB9A
SCHEMBL5828559 0.67 ALDH1A1 (0.49) ALDH1A1MAPK14TSHR

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
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