SCHEMBL21394796

SCHEMBL21394796

CN1N=C(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CCC1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ABL1 P00519 3/20 0.57
LMNA P02545 5/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CFTR P13569 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.50

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
SCHEMBL29356996 1.00 POLB (0.59) POLBABL1LMNATDP1SMN1; SMN2
SCHEMBL21394850 0.89 ABL1 (0.57) POLBABL1LMNATDP1SMN1; SMN2
SCHEMBL29353818 0.89 ABL1 (0.57) POLBABL1LMNATDP1SMN1; SMN2
SCHEMBL21394669 0.86 RAB9A (0.56) POLBABL1LMNASMN1; SMN2NPC1
SCHEMBL22479443 0.86 MEN1 (0.46) POLBABL1LMNATDP1SMN1; SMN2
SCHEMBL21395177 0.84 MEN1 (0.56) POLBABL1LMNASMN1; SMN2NPC1
SCHEMBL21394864 0.83 LMNA (0.62) ABL1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL21394793 0.81 GPER1 (0.51) ABL1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL21394517 0.81 MAPT (0.43) POLBABL1LMNASMN1; SMN2NPC1
SCHEMBL21394805 0.81 ABL1 (0.44) ABL1LMNASMN1; SMN2NPC1RAB9A

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