SCHEMBL18894300

SCHEMBL18894300

Nc1ccc(C#CCOCC#Cc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.56
▸ MAPT P10636 2/20 0.48
▸ KCNH2 Q12809 1/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL17729351 0.83 APP (0.53) APPMAPTKCNH2CYP3A4CYP2C9
SCHEMBL9763745 0.79 APP (0.48) APPMAPTKCNH2CYP1A2CYP3A4
SCHEMBL4622686 0.77 KCNH2 (0.41) MAPTKCNH2CYP1A2CYP3A4CYP2C9
SCHEMBL10362542 0.77 LMNA (0.49) KCNH2MEN1KMT2AMMP2MMP12
SCHEMBL1276464 0.76 CYP1A2 (0.56) APPMAPTKCNH2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL25239520 0.74 BLM (0.64) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL11459291 0.74 APP (0.59) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL864945 0.74 APP (1.00) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9611200 0.74 APP (1.00) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9834499 0.74 APP (0.53) APPKCNH2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113262564-A Surface modified filter media 霍林斯沃思和沃斯有限公司 2021-08-17 — — CN disclosed
CN-111939678-A Pre-coalesced multi-layer filter media 霍林斯沃思和沃斯有限公司 2020-11-17 — — CN disclosed
US-10414866-B2 Troger's base polymers having intrinsic microporosity DOW GLOBAL TECHNOLOGIES LLC (US) 2019-09-17 — — US disclosed
US-20180319937-A1 HIGH SOLIDS POLYCARBOXYLATE SYNTHESIS FOR CEMENT SUPERPLASTICIZERS DOW GLOBAL TECHNOLOGIES LLC 2018-11-08 — — US disclosed
WO-2017091357-A1 TROGER'S BASE POLYMERS HAVING INTRINSIC MICROPOROSITY DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-01 — — WO disclosed
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