SCHEMBL28045385

SCHEMBL28045385

O=C(O)Nn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ CCR6 P51684 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
SCHEMBL27889745 0.67 JAK2 (0.38) LMNAALDH1A1JAK2THRBL3MBTL1
SCHEMBL17220671 0.67 — —
SCHEMBL9253625 0.64 NPC1 (0.39) NPC1
SCHEMBL11470894 0.63 — —
SCHEMBL2169311 0.62 DAO (0.41) —
SCHEMBL4388580 0.62 LMNA (0.31) LMNAALDH1A1JAK2THRB
SCHEMBL4184455 0.62 APEX1 (0.47) ALDH1A1HPGD
SCHEMBL9062088 0.60 IDH1 (0.33) —
SCHEMBL17849940 0.60 JAK2 (0.32) JAK2THRB
SCHEMBL252499 0.60 JAK2 (0.32) JAK2THRB

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
CN-105189595-B Process for preparing urethane-isocyanurates 陶氏环球技术有限责任公司 2018-03-02 — — CN disclosed
CN-107531870-A The PUR/PIR rigid foams formed by isopropylidenediphenol base polyethers 科思创德国股份有限公司 2018-01-02 — — CN disclosed
CN-105829375-A Allophanate-isocyanurateing catalyst, polyisocyanate composition, method for producing the composition, and two-component coating composition 东曹株式会社 2016-08-03 — — CN disclosed
CN-105189595-A Process for preparing urethane-isocyanurates DOW GLOBAL TECHNOLOGIES INC 2015-12-23 — — CN disclosed
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