SCHEMBL21394527

SCHEMBL21394527

O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(=O)n(CCF)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.61
KCNJ11 Q14654 1/20 0.61
SCD O00767 4/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ABL1 P00519 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL21394533 0.90 ABCC8 (0.62) ABCC8KCNJ11SCDKMT2AMEN1
SCHEMBL29356956 0.90 ABCC8 (0.62) ABCC8KCNJ11SCDKMT2AMEN1
SCHEMBL21394672 0.88 ABCC8 (0.56) ABCC8KCNJ11SCDKMT2AMEN1
SCHEMBL22479450 0.79 SCD (0.49) ABCC8KCNJ11SCDKMT2AMEN1
SCHEMBL21394526 0.79 SCD (0.60) SCDKMT2AMEN1ABL1MAPT
SCHEMBL16085603 0.78 SCD (0.51) ABCC8KCNJ11SCDKMT2AMEN1
SCHEMBL21394804 0.77 LMNA (0.66) SCDKMT2AMEN1ABL1MAPT
SCHEMBL21394933 0.76 SCD (0.64) SCDKMT2AMEN1ABL1MAPT
SCHEMBL21395173 0.75 SCD (0.57) SCDKMT2AMEN1ABL1MAPT
SCHEMBL21394515 0.74 LMNA (0.48) SCDKMT2AMEN1ABL1MAPT

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