Sugi Predict

Sugi Predict / Compounds / SCHEMBL29112771

SCHEMBL29112771

SCHEMBL29112771

Cc1ccc(OC(N)=O)nc1CBr

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.38
▸ ADORA2A P29274 1/20 0.34
▸ PARP1 P09874 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL28876586 0.82 NNMT (0.33) NNMTMEN1KMT2A
SCHEMBL26144385 0.75 NNMT (0.41) NNMTADORA2ATDP1KMT2APOLB
SCHEMBL29177275 0.75 POLB (0.40) NNMTPARP1MEN1KMT2APOLB
SCHEMBL28737030 0.72 NNMT (0.33) NNMTMEN1KMT2A
SCHEMBL28931441 0.71 NNMT (0.45) NNMTMEN1KMT2A
SCHEMBL29150549 0.71 PARP1 (0.31) PARP1
SCHEMBL28445294 0.70 MEN1 (0.40) ADORA2APARP1MEN1KMT2A
SCHEMBL28931454 0.69 NNMT (0.46) NNMTPARP1MEN1KMT2APOLB
SCHEMBL28842130 0.69 NNMT (0.42) NNMTMEN1KMT2A
SCHEMBL29112850 0.68 NNMT (0.45) NNMTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116888125-B TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-04-12 — — CN disclosed
CN-116888125-A TYK2 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2023-10-13 — — CN disclosed