SCHEMBL21394831

SCHEMBL21394831

COc1cc(F)cc(Cc2ccc(NC(=O)c3ccc(=O)n(C)c3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GCK P35557 4/20 0.43
RARG P13631 1/20 0.42
DEGS1 O15121 2/20 0.42
GRM5 P41594 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
FGFR3 P22607 1/20 0.38
ALKBH1 Q13686 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL29353773 1.00 MEN1 (0.43) MEN1KMT2APOLBGCKRARG
SCHEMBL21394784 0.91 GCK (0.44) GCKRARGDEGS1ABCB1ABCC1
SCHEMBL29356925 0.91 GCK (0.44) GCKRARGDEGS1ABCB1ABCC1
SCHEMBL21394679 0.89 MEN1 (0.42) MEN1KMT2APOLBGCKRARG
SCHEMBL29356223 0.89 MEN1 (0.42) MEN1KMT2APOLBGCKRARG
SCHEMBL21394762 0.89 RAB9A (0.43) MEN1KMT2ADEGS1NPC1TP53
SCHEMBL29353782 0.85 KDM4E (0.51) GCKDEGS1GRM5NPC1RAB9A
SCHEMBL21394550 0.85 KDM4E (0.51) GCKDEGS1GRM5NPC1RAB9A
SCHEMBL21394842 0.85 SMN1; SMN2 (0.44) MEN1KMT2AABCB1ABCC1NPC1
SCHEMBL29356712 0.85 SMN1; SMN2 (0.44) MEN1KMT2AABCB1ABCC1NPC1

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 7 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
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