SCHEMBL21394526

SCHEMBL21394526

Cn1cc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
ITK Q08881 1/20 0.49
ABL1 P00519 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL21394531 0.83 MEN1 (0.58) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL21394672 0.83 ABCC8 (0.56) SCDMEN1KMT2ALMNAMAPT
SCHEMBL29356936 0.80 NPC1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL21394601 0.80 NPC1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL21394533 0.79 ABCC8 (0.62) SCDMEN1KMT2ALMNAMAPT
SCHEMBL29356956 0.79 ABCC8 (0.62) SCDMEN1KMT2ALMNAMAPT
SCHEMBL29353926 0.79 CREBBP (0.55) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21394413 0.79 CREBBP (0.55) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL21394527 0.79 ABCC8 (0.61) SCDMEN1KMT2ALMNAMAPT
SCHEMBL22275244 0.78 SCD (0.61) SCDMEN1KMT2ALMNAMAPT

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