SCHEMBL30137486

SCHEMBL30137486

Cn1nc(NC(=O)OCc2ccccc2)c2ccc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ROCK2 O75116 1/20 0.45
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.42
TACR3 P29371 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40
S1PR1 P21453 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL8589894 0.80 HTR3A (0.50) SMN1; SMN2L3MBTL1NPC1RAB9ALMNA
SCHEMBL2145832 0.79 KDM4C (0.44) L3MBTL1LMNANPSR1MEN1MAPT
SCHEMBL30661581 0.78 AAK1 (0.39) SMN1; SMN2NPC1RAB9AAAK1
SCHEMBL30137270 0.76 KHK (0.42) SMN1; SMN2ROCK2MGLLALDH1A1
SCHEMBL27242958 0.76 ITGB3 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL26621499 0.76 PDGFRA (0.46) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL31419416 0.76 PDGFRA (0.46) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL8305123 0.75 HTR3A (0.54) SMN1; SMN2L3MBTL1NPC1RAB9AMEN1
SCHEMBL14648946 0.72 HTT (0.57) SMN1; SMN2HTTL3MBTL1NPC1RAB9A
SCHEMBL29976679 0.72 APEX1 (0.46) L3MBTL1ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed