SCHEMBL25453058

SCHEMBL25453058

Cc1cc(Br)c2c(c1)CN(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ ABCC9 O60706 1/20 0.31
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31
▸ KCNJ8 Q15842 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ LMNA P02545 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
SCHEMBL24649692 0.81 HTR2A (0.43) PARP1BRD4MEN1KMT2AALDH1A1
SCHEMBL25453060 0.79 PARP1 (0.37) PARP1BRD4MEN1KMT2AHTR2A
SCHEMBL25453054 0.79 PARP1 (0.37) PARP1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL21608276 0.76 PARP1 (0.39) PARP1BRD4MEN1KMT2AABCC9
SCHEMBL29209082 0.75 BRD4 (0.42) PARP1BRD4MEN1KMT2AHTR2A
SCHEMBL18089021 0.73 PARP1 (0.57) PARP1BRD4MEN1KMT2AHTR2A
SCHEMBL31239560 0.70 BRD4 (0.41) PARP1BRD4MEN1KMT2AABCC9
SCHEMBL29099572 0.70 BRD4 (0.41) PARP1BRD4MEN1KMT2AHTR2A
SCHEMBL31543992 0.70 BRD4 (0.41) PARP1BRD4MEN1KMT2AHTR2A
SCHEMBL13892590 0.68 ALDH1A1 (0.37) BRD4ALDH1A1ALDH2ALDH3A1LMNA

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-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
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