SCHEMBL25170812

SCHEMBL25170812

NC(=O)c1cccc(C(N)=O)c1.c1c[nH]nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.47
▸ PARP15 Q460N3 2/20 0.44
▸ PARP10 Q53GL7 2/20 0.44
▸ TNKS O95271 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ PRKCI P41743 1/20 0.43
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ SARM1 Q6SZW1 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ SIRT4 Q9Y6E7 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCNC P24863 1/20 0.41

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
Benzamide SCHEMBL19667939 0.88 POLB (0.57) PARP1PARP15PARP10TNKSPARP14
Isophthalic Acid SCHEMBL28050876 0.84 CA12 (0.46) TSHRHSD17B10
Isophthalic Acid SCHEMBL28064664 0.83 CA12 (0.44) TSHRHSD17B10
Isophthalic Acid SCHEMBL28005851 0.80 CA2 (0.37) PARP1TDP1L3MBTL1MEN1KMT2A
SCHEMBL31021028 0.77 PARP1 (0.73) PARP1PARP15PARP10TNKSPARP14
SCHEMBL36694 0.77 PARP1 (0.73) PARP1PARP15PARP10TNKSPARP14
Benzophenone SCHEMBL27762502 0.77 ALDH1A1 (0.54) MAPTTDP1L3MBTL1MEN1KMT2A
Benzoic Acid SCHEMBL17495601 0.77 NAPRT (0.54) TSHRMEN1KMT2A
Isophthalic Acid SCHEMBL28119902 0.76 TP53 (0.47) MAPTHSD17B10L3MBTL1
SCHEMBL28012220 0.76 ALOX15 (0.40) TSHRMAPTHSD17B10TDP1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023079269-A1 REDOX CAPACITANCE SENSING OF PARTICLES UNDER FLOW OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-05-11 — — WO claimed
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