SCHEMBL21394797

SCHEMBL21394797

CN1N=C(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.49
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
NFKB1 P19838 4/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GPER1 Q99527 1/20 0.44
ABL1 P00519 4/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 4/20 0.40
RIPK1 Q13546 1/20 0.40
GAA P10253 2/20 0.39
PSEN1 P49768 2/20 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
SCHEMBL21394984 0.93 LMNA (0.44) SCDRAB9ANPC1MEN1LMNA
SCHEMBL21394882 0.91 SCD (0.52) SCDRAB9ANPC1MEN1LMNA
SCHEMBL29353798 0.91 SCD (0.52) SCDRAB9ANPC1MEN1LMNA
SCHEMBL21395007 0.90 RAB9A (0.59) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL21394530 0.87 SCD (0.51) SCDRAB9ANPC1MEN1LMNA
SCHEMBL21394669 0.86 RAB9A (0.56) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL21394793 0.85 GPER1 (0.51) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL21394805 0.85 ABL1 (0.44) SCDRAB9ANPC1MEN1LMNA
SCHEMBL29358195 0.85 ABL1 (0.44) SCDRAB9ANPC1MEN1LMNA
SCHEMBL29354643 0.85 GPER1 (0.51) RAB9ANPC1MEN1LMNAKMT2A

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