SCHEMBL21394773

SCHEMBL21394773

CN1N=C(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.39
F10 P00742 4/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.37
IDO1 P14902 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 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
SCHEMBL29354631 1.00 RAB9A (0.44) RAB9AALDH1A1LMNAF10MAPT
SCHEMBL21395160 0.91 ALDH1A1 (0.43) RAB9AALDH1A1LMNAF10MAPT
SCHEMBL29442784 0.91 ALDH1A1 (0.43) RAB9AALDH1A1LMNAF10MAPT
SCHEMBL21394586 0.91 RAB9A (0.47) RAB9AALDH1A1F10MAPTSMN1; SMN2
SCHEMBL21394472 0.90 RAB9A (0.47) RAB9AALDH1A1F10MAPTSMN1; SMN2
SCHEMBL29358624 0.90 RAB9A (0.47) RAB9AALDH1A1F10MAPTSMN1; SMN2
SCHEMBL22479693 0.89 RAB9A (0.45) RAB9ALMNAF10MAPTSMN1; SMN2
SCHEMBL29357828 0.89 RAB9A (0.47) RAB9AALDH1A1LMNAF10MAPT
SCHEMBL21394660 0.89 RAB9A (0.47) RAB9AALDH1A1LMNAF10MAPT
SCHEMBL21394597 0.89 RAB9A (0.44) RAB9AALDH1A1F10MAPTSMN1; 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