SCHEMBL29071476

SCHEMBL29071476

CC(=O)Nc1ccccc1C(=O)OCc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.71
▸ LMNA P02545 4/20 0.71
▸ ALDH1A1 P00352 6/20 0.68
▸ HPGD P15428 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ MAPT P10636 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ RAB9A P51151 4/20 0.63
▸ GAA P10253 1/20 0.63
▸ STAT1 P42224 1/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL10504416 0.80 LMNA (0.54) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL7312805 0.79 LMNA (0.71) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL28979388 0.79 ALDH1A1 (0.49) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL24013287 0.78 ALDH1A1 (0.63) KDM4ELMNAALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL11475020 0.76 POLB (0.59) ALDH1A1HTTMAPTRAB9AL3MBTL1
SCHEMBL28329024 0.76 ALDH1A1 (0.62) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL6014493 0.76 NAMPT (0.63) KDM4ELMNAALDH1A1MAPTL3MBTL1
SCHEMBL20379211 0.76 ALDH1A1 (0.80) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL29655205 0.75 KMT2A (0.71) KDM4ELMNAALDH1A1HPGDHTT
SCHEMBL1640485 0.75 KMT2A (0.71) KDM4ELMNAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111358713-B copolymer 宝丽化学工业有限公司 2023-09-19 — — CN disclosed
CN-111481469-B copolymer 宝丽化学工业有限公司 2023-09-19 — — CN disclosed
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