SCHEMBL21394472

SCHEMBL21394472

CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)cc3)cn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
F10 P00742 3/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 2/20 0.39
PTK2 Q05397 1/20 0.39
PARP1 P09874 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29358624 1.00 RAB9A (0.47) RAB9ASMN1; SMN2F10TSHRNPC1
SCHEMBL21394586 0.93 RAB9A (0.47) RAB9ASMN1; SMN2F10TSHRNPC1
SCHEMBL21394808 0.91 RAB9A (0.47) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL29359190 0.91 RAB9A (0.47) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL21394660 0.91 RAB9A (0.47) RAB9ASMN1; SMN2F10NPC1MEN1
SCHEMBL29357828 0.91 RAB9A (0.47) RAB9ASMN1; SMN2F10NPC1MEN1
SCHEMBL22479446 0.91 RAB9A (0.44) RAB9ASMN1; SMN2F10NPC1MEN1
SCHEMBL29353935 0.90 RAB9A (0.46) RAB9ASMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL21394770 0.90 RAB9A (0.46) RAB9ASMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL21394773 0.90 RAB9A (0.44) RAB9ASMN1; SMN2F10NPC1MEN1

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