SCHEMBL16951541

SCHEMBL16951541

C=Cc1cc(Cl)cc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.46
▸ RAB9A P51151 1/20 0.40
▸ TPMT P51580 1/20 0.39
▸ ADRA1D P25100 1/20 0.36
▸ MAP4K4 O95819 3/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL16581118 0.81 RAB9A (0.40) RAB9ATPMTHCAR1SMN1; SMN2MEN1
SCHEMBL5048829 0.79 PARP1 (0.60) PARP1TPMTADRA1DMAP4K4HCAR1
SCHEMBL349820 0.79 PARP1 (0.60) PARP1RAB9ATPMTADRA1DMAP4K4
SCHEMBL5174897 0.78 DHODH (0.50) PARP1TPMTMKNK1MKNK2CYP3A4
SCHEMBL16961939 0.77 PARP1 (0.46) PARP1CYP3A4SMN1; SMN2POLBMEN1
SCHEMBL16962552 0.77 PARP1 (0.33) PARP1CYP3A4SMN1; SMN2POLBMAPT
SCHEMBL16960960 0.77 PARP1 (0.46) PARP1HCAR1CYP3A4SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4371939 0.77 PARP1 (0.58) PARP1RAB9ATPMTADRA1DMAP4K4
SCHEMBL16953741 0.76 RAB9A (0.34) RAB9ATPMT
SCHEMBL14060424 0.74 PARP1 (0.56) PARP1RAB9ATPMTADRA1DMAP4K4

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
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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