SCHEMBL21394885

SCHEMBL21394885

COc1cccc(Cc2cnc(NC(=O)C3=NN(C)C(=O)CC3)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.56
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ABL1 P00519 2/20 0.48
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.45
RIPK1 Q13546 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL29353798 0.87 SCD (0.52) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL21394864 0.87 LMNA (0.62) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL21394882 0.87 SCD (0.52) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL21394669 0.87 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL21394871 0.85 RIPK1 (0.49) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL21395165 0.85 ABL1 (0.61) SCDMAPTMEN1KMT2AABL1
SCHEMBL21394906 0.83 POLB (0.46) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL21394530 0.83 SCD (0.51) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL21394592 0.82 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL29358240 0.82 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTKMT2A

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 8 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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed