SCHEMBL28335689

SCHEMBL28335689

C[C@@H](OC(=O)NC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53BP1 Q12888 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ALPL P05186 1/20 0.36
KCNA5 P22460 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 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
SCHEMBL27938355 1.00 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL22497586 1.00 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL28243703 0.87 NPC1 (0.41) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL27729880 0.84 ADRB2 (0.41) ALDH1A1LMNAMEN1KMT2A
SCHEMBL28764261 0.83 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL28069939 0.83 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL17465167 0.83 HCAR2 (0.50) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL27666225 0.83 HCAR2 (0.50) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL28069978 0.82 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL25222548 0.81 KMT2A (0.47) NPC1RAB9AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 CN disclosed
CN-110546150-B Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-21 CN disclosed
CN-112020357-A Salts of indazolyl-containing tricyclic derivatives and crystal forms thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
CN-110546150-A Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD 2019-12-06 CN disclosed