SCHEMBL21394730

SCHEMBL21394730

Cn1nccc(NC(=O)c2ccc(Cc3cccc(F)c3)cn2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.45
SCD O00767 14/20 0.42
SCD5 Q86SK9 9/20 0.41
AKT1 P31749 1/20 0.40
GRM4 Q14833 1/20 0.39
FSCN1 Q16658 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL29442848 1.00 SNCA (0.45) SNCASCDSCD5AKT1GRM4
SCHEMBL21395093 0.89 LMNA (0.43) SNCAFSCN1HDAC3HDAC1HDAC2
SCHEMBL21395014 0.81 AHR (0.44) SCDAKT1FSCN1
SCHEMBL21384504 0.79 SNCA (0.48) SNCASCDSCD5MMP13
SCHEMBL29353720 0.79 SNCA (0.48) SNCASCDSCD5MMP13
SCHEMBL29358085 0.76 NPC1 (0.48) SNCASCD
SCHEMBL21394658 0.76 NPC1 (0.48) SNCASCD
SCHEMBL29356991 0.76 TSHR (0.47) SNCASCD
SCHEMBL21394641 0.76 TSHR (0.47) SNCASCD
SCHEMBL21384460 0.75 SNCA (0.45) SNCASCDSCD5FSCN1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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