SCHEMBL21394980

SCHEMBL21394980

CC(C)n1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
F10 P00742 2/20 0.38
MME P08473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE9A O76083 1/20 0.37
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
SNCA P37840 1/20 0.37
DHODH Q02127 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL29353959 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29353904 0.90 ABCC8 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL21394977 0.90 ABCC8 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL21394760 0.87 L3MBTL1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29354586 0.87 L3MBTL1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21394481 0.85 RAB9A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29358443 0.85 RAB9A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL21394682 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL29354654 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL21395125 0.83 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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