SCHEMBL21394863

SCHEMBL21394863

CCCn1nc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
SNCA P37840 1/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.38
P2RY14 Q15391 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL29356789 1.00 ABCC8 (0.49) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL29358498 0.93 ABCC8 (0.50) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL21384506 0.93 ABCC8 (0.50) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL21394641 0.89 TSHR (0.47) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL29356991 0.89 TSHR (0.47) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL21384424 0.85 ABCC8 (0.47) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL29356186 0.85 ABCC8 (0.47) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL21394977 0.84 ABCC8 (0.43) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL29353904 0.84 ABCC8 (0.43) ABCC8KCNJ11SNCANPC1RAB9A
SCHEMBL21384504 0.84 SNCA (0.48) ABCC8KCNJ11SNCANPC1RAB9A

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