SCHEMBL29357828

SCHEMBL29357828

CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)cn2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
FSCN1 Q16658 2/20 0.40
PGR P06401 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CSF1R P07333 1/20 0.37
NPC1 O15118 2/20 0.37
F10 P00742 2/20 0.37
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21394660 1.00 RAB9A (0.47) RAB9AFSCN1PGRSMN1; SMN2CSF1R
SCHEMBL22479674 0.92 RAB9A (0.44) RAB9AFSCN1SMN1; SMN2NPC1F10
SCHEMBL29354561 0.91 RAB9A (0.44) RAB9ASMN1; SMN2CSF1RNPC1F10
SCHEMBL21394549 0.91 RAB9A (0.44) RAB9ASMN1; SMN2CSF1RNPC1F10
SCHEMBL21394472 0.91 RAB9A (0.47) RAB9ASMN1; SMN2NPC1F10PARP1
SCHEMBL29358624 0.91 RAB9A (0.47) RAB9ASMN1; SMN2NPC1F10PARP1
SCHEMBL21394586 0.90 RAB9A (0.47) RAB9ASMN1; SMN2CSF1RNPC1F10
SCHEMBL29357018 0.90 RAB9A (0.42) RAB9ASMN1; SMN2F10PARP1
SCHEMBL21394588 0.90 RAB9A (0.42) RAB9ASMN1; SMN2F10PARP1
SCHEMBL21394773 0.89 RAB9A (0.44) RAB9ASMN1; SMN2NPC1F10PARP1

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 5 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