SCHEMBL21394475

SCHEMBL21394475

COc1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
KIT P10721 1/20 0.41
ABCB1 P08183 2/20 0.41
CHEK1 O14757 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCD O00767 1/20 0.40
ABCC1 P33527 1/20 0.40
FGFR3 P22607 4/20 0.40
GRM5 P41594 2/20 0.39
SNCA P37840 1/20 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
SCHEMBL29357078 1.00 KMT2A (0.41) KMT2AMEN1POLBKITABCB1
SCHEMBL21395189 0.92 ABCB1 (0.45) ABCB1NPC1RAB9ASMN1; SMN2SCD
SCHEMBL22479679 0.88 NPC1 (0.42) NPC1ALDH1A1PKMTSHRRAB9A
SCHEMBL21394639 0.87 FPR1 (0.42) NPC1ALDH1A1PKMTSHRRAB9A
SCHEMBL21394940 0.87 SNCA (0.42) NPC1ALDH1A1PKMTSHRRAB9A
SCHEMBL21395039 0.85 NPC1 (0.43) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL21394711 0.85 NPC1 (0.44) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL29358350 0.85 NPC1 (0.44) KMT2AMEN1POLBNPC1ALDH1A1
SCHEMBL21394641 0.84 TSHR (0.47) KMT2AMEN1NPC1ALDH1A1PKM
SCHEMBL29356991 0.84 TSHR (0.47) KMT2AMEN1NPC1ALDH1A1PKM

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