SCHEMBL8045378

SCHEMBL8045378

Oc1c(Cn2nnc3ccccc32)ccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ TP53 P04637 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ KCNMA1 Q12791 1/20 0.61
▸ BRD4 O60885 1/20 0.60
▸ ATM Q13315 1/20 0.57
▸ SLC9A1 P19634 3/20 0.52
▸ GRM2 Q14416 2/20 0.51
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ PTK2 Q05397 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL14307551 0.83 HPGD (0.70) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL9302790 0.82 HPGD (1.00) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL3878065 0.78 KCNMA1 (0.80) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL20815428 0.74 KCNMA1 (0.64) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL27787691 0.72 ATM (0.64) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL9305191 0.71 GAA (0.66) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL30368818 0.71 GAA (0.66) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL31558359 0.70 KDM4E (0.50) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL3552907 0.70 KCNMA1 (0.67) KMT2AALDH1A1LMNAHPGDTP53
SCHEMBL9303187 0.70 KCNMA1 (0.67) KMT2AALDH1A1LMNAHPGDTP53

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-0825172-B1 Synthesis of 1-acetoxy-2-methylnaphthalene BRISTOL MYERS SQUIBB CO (US) 2000-04-26 — — EP disclosed
EP-0825172-A1 Synthesis of 1-acetoxy-2-methylnaphthalene Bristol-Myers Squibb Company (US) 1998-02-25 — — EP disclosed
US-5670698-A Synthesis of 1-acetoxy-2-methylnaphthalene BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-23 — — US disclosed
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