SCHEMBL30358593

SCHEMBL30358593

C=CCOc1cc(Cl)ccc1C(=O)NCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HPGD P15428 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ AKR1B1 P15121 6/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAOB P27338 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ LIG1 P18858 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ AKR1B10 O60218 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL30391813 0.84 HPGD (0.50) GAATSHRHPGDPOLBAKR1B1
Alloclamide SCHEMBL29730070 0.82 MCHR1 (0.53) GAATSHRHPGDPOLBRAB9A
Alloclamide SCHEMBL872157 0.82 MCHR1 (0.53) GAATSHRHPGDPOLBRAB9A
SCHEMBL30485743 0.82 ALDH1A1 (0.52) GAATSHRCYP2C19L3MBTL1LMNA
Alloclamide SCHEMBL209095 0.82 MCHR1 (0.52) GAATSHRHPGDPOLBRAB9A
SCHEMBL29358295 0.81 KDM4E (0.52) GAATSHRCYP2C19LMNA
Alloclamide SCHEMBL27527103 0.81 MCHR1 (0.51) GAATSHRHPGDPOLBRAB9A
SCHEMBL29833947 0.80 CNR1 (0.47) GAATSHRPOLBCYP1A2KMT2A
SCHEMBL29989069 0.79 CYP2C19 (0.59) MAOBCYP1A2KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL9585190 0.79 LMNA (0.55) TSHRHPGDPOLBRAB9AMAOB

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
CN-116583633-A Method and system for forming a multi-layer zinc alloy coating and metal article 派克汉尼汾(欧洲、中东和非洲)公司 2023-08-11 — — CN disclosed
US-20230203698-A1 METHOD AND SYSTEM FOR FORMING A MULTILAYERED ZINC ALLOY COATING AND METALLIC ARTICLE PARKER HANNIFIN EMEA S.À.R.L. (CH) 2023-06-29 — — US disclosed
EP-4182496-A1 METHOD AND SYSTEM FOR FORMING A MULTILAYERED ZINC ALLOY COATING AND METALLIC ARTICLE Parker Hannifin EMEA S.à.r.l. (CH) 2023-05-24 — — EP disclosed
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