SCHEMBL11005335

SCHEMBL11005335

Cc1cc(=O)n(-c2ccc(Br)cc2)n1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.68
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.38
FPR2 P25090 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
KAT2B Q92831 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
SCHEMBL5052007 0.85 NAPRT (0.72) NAPRTMEN1KMT2AHSD17B10POLB
SCHEMBL4849110 0.81 NAPRT (0.68) NAPRTMEN1KMT2AHSD17B10NPSR1
SCHEMBL4322796 0.81 NAPRT (0.68) NAPRTMEN1KMT2APOLBGSK3A
SCHEMBL11049152 0.81 NAPRT (0.68) NAPRTKMT2APOLBFAAHMGLL
SCHEMBL3531406 0.81 NAPRT (0.68) NAPRTMEN1KMT2APOLBGSK3A
Antipyrine SCHEMBL20452 0.81 NAPRT (1.00) NAPRTKMT2APOLBGSK3AGSK3B
Antipyrine SCHEMBL18260589 0.79 NAPRT (0.96) NAPRTMEN1KMT2APOLBGSK3A
Antipyrine SCHEMBL8736656 0.79 NAPRT (0.96) NAPRTKMT2APOLBGSK3AGSK3B
Antipyrine SCHEMBL8995343 0.79 NAPRT (0.96) NAPRTKMT2APOLBGSK3AGSK3B
Antipyrine SCHEMBL28445203 0.79 NAPRT (0.96) NAPRTMEN1KMT2APOLBGSK3A

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-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN claimed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN claimed
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN disclosed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN disclosed
CN-110114354-B Condensed heterocyclic compound having oxime group or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-04-29 CN disclosed
CN-110256407-B Pyrazolone-substituted-3-hydroxyoxindole-containing derivative and preparation method thereof 赣南师范大学 2020-08-25 CN disclosed
CN-110256407-A One kind -3- hydroxyl oxoindole derivative of substitution containing pyrazolone and preparation method 赣南师范大学 2019-09-20 CN disclosed
US-4537886-A β-lactam antibacterial agents and compositions containing them BEECHAM GROUP P.L.C. (GB) 1985-08-27 US disclosed
EP-0090656-A1 Penicillins, a process for the preparation and compositions containing them BEECHAM GROUP PLC (GB) 1983-10-05 EP disclosed