SCHEMBL29698223

SCHEMBL29698223

O=C1NCCc2c(Br)cc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.50
▸ PARP11 Q9NR21 4/20 0.50
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ PARP1 P09874 4/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ ACHE P22303 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ CAPN9 O14815 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CTSL P07711 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
SCHEMBL25062059 0.84 PIM1 (0.47) MAPTTDP1ALDH1A1GLACYP3A4
SCHEMBL30019687 0.82 PARP10 (0.50) PARP10PARP11MAPTTDP1LMNA
SCHEMBL29144339 0.82 PARP10 (0.50) PARP10PARP11MAPTTDP1LMNA
SCHEMBL30855765 0.79 MAPT (0.44) PARP10PARP11MAPTTDP1LMNA
SCHEMBL24886285 0.74 PARP10 (0.56) PARP10PARP11HTTPARP1ACHE
SCHEMBL22990298 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22982047 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23952300 0.74 PARP10 (0.56) PARP10PARP11MAPTLMNAALDH1A1
SCHEMBL23951998 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL29698302 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1

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-120152713-A Tricyclic aryl derivatives and compositions and methods thereof 昂胜医疗科技公司 2025-06-13 — — CN disclosed
EP-4561562-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 — — EP disclosed
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