SCHEMBL10745802

SCHEMBL10745802

O=c1ncc(Cl)cn1CSc1ccc(CO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TYR P14679 1/20 0.32
▸ MAPT P10636 5/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ DDB1 Q16531 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
SCHEMBL10738423 0.88 ALDH1A1 (0.41) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL10742628 0.84 F2 (0.38) DAORAB9ANPC1GAAALDH1A1
SCHEMBL10737230 0.80 IDO1 (0.44) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL10811918 0.77 EGLN1 (0.39) RAB9ANPC1TYRHSD17B10NOTUM
SCHEMBL10742281 0.75 GRIN2B (0.37) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL11160179 0.71 LMNA (0.35) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL10811880 0.70 ALDH1A1 (0.49) DAORAB9ANPC1GAAALDH1A1
SCHEMBL10735453 0.69 HPGD (0.32) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL10735574 0.69 POLB (0.52) RAB9ANPC1ALDH1A1MAPTHSD17B10
SCHEMBL11170879 0.68 HPGD (0.47) GAAALDH1A1HSD17B10LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4705791-A ANTICARCINOGENIC AGENTS, IMMUNOLOGY, SKIN DISORDERS NYEGAARD & CO. A/S (NO) 1987-11-10 — — US disclosed
US-4596870-A Substituted pyrimidin-2-ones and the salts thereof NYEGAARD & CO. A.S. (NO) 1986-06-24 — — US disclosed
EP-0056319-B1 SUBSTITUTED PYRIMIDIN-2-ONES AND THE SALTS THEREOF NYEGAARD & CO. A/S (NO) 1986-04-16 — — EP disclosed
EP-0056319-A2 Substituted pyrimidin-2-ones and the salts thereof NYEGAARD & CO. A/S (NO) 1982-07-21 — — EP disclosed
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