SCHEMBL29043665

SCHEMBL29043665

COC(=O)c1cc(Oc2ccccc2)ncc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.47
▸ CFTR P13569 1/20 0.47
▸ GAA P10253 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PLA2G10 O15496 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPK8 P45983 4/20 0.44
▸ MAPK10 P53779 4/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL29043663 0.85 IDO1 (0.49) ALDH1A1NPC1RAB9ATDP1KDM4E
SCHEMBL31582715 0.81 KDM4E (0.54) ALDH1A1HSD17B10CFTRGAAKDM4E
SCHEMBL15359911 0.81 KDM4E (0.54) ALDH1A1HSD17B10CFTRGAAKDM4E
Hydrochloric Acid SCHEMBL20771312 0.79 KDM4E (0.53) ALDH1A1HSD17B10CFTRGAAKDM4E
SCHEMBL29043661 0.79 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ATDP1GAA
SCHEMBL2723179 0.77 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ATDP1HSD17B10
SCHEMBL3996398 0.76 L3MBTL1 (0.57) ALDH1A1HSD17B10KDM4EMAPTLMNA
SCHEMBL5258681 0.76 HSPB1 (0.45) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL20870396 0.74 KDM4E (0.45) ALDH1A1HSD17B10CFTRGAAKDM4E
SCHEMBL16792635 0.74 UHRF1 (0.46) ALDH1A1NPC1RAB9AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069957-B Prolyl hydroxylase inhibitors and uses thereof 广东东阳光药业有限公司 2022-11-04 — — CN disclosed
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