SCHEMBL21395237

SCHEMBL21395237

O=C(Nc1ccc(CO)nc1)c1ccc(Cc2cccc(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.48
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC3 O15379 4/20 0.46
NCOR2 Q9Y618 2/20 0.46
SGMS2 Q8NHU3 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
FFAR1 O14842 1/20 0.42
MAOB P27338 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CXCR1 P25024 1/20 0.41

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
SCHEMBL29442785 1.00 SNCA (0.48) SNCAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21394709 0.88 KCNQ3 (0.46) SNCAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29442878 0.88 KCNQ3 (0.46) SNCAKCNQ3KCNQ2KCNE1KCNQ1
Trifluoroacetic Acid SCHEMBL29442829 0.84 TRPV1 (0.45) SNCAKCNQ3KCNQ2KCNE1KCNQ1
Trifluoroacetic Acid SCHEMBL28534473 0.84 TRPV1 (0.45) SNCAKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL29442885 0.80 SGMS2 (0.46) KCNQ3KCNQ2KCNE1KCNQ1SGMS2
SCHEMBL21394624 0.80 NPC1 (0.48) NPC1RAB9ACXCR1CXCR2KDM4E
SCHEMBL29358776 0.80 NPC1 (0.48) NPC1RAB9ACXCR1CXCR2KDM4E
SCHEMBL21395133 0.76 SNCA (0.50) SNCAHDAC1HDAC2HDAC3NCOR2
SCHEMBL9938749 0.76 HCAR2 (0.57) SNCAP4HTMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed