SCHEMBL25453054

SCHEMBL25453054

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ UGCG Q16739 3/20 0.34
▸ 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
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 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) PARP1HTR2AHTR2CHTR2B
SCHEMBL31239560 0.81 BRD4 (0.41) PARP1UGCGABCC9ABCC8KCNJ11
SCHEMBL25453060 0.79 PARP1 (0.37) PARP1HTR2AHTR2CHTR2B
SCHEMBL25453058 0.79 PARP1 (0.37) PARP1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30550464 0.78 ACHE (0.39) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL18089020 0.77 HTR7 (0.36) PARP1UGCG
SCHEMBL14996499 0.73 PARP1 (0.57) PARP1UGCGHTR2C
SCHEMBL26461019 0.70 UGCG (0.39) PARP1UGCG
SCHEMBL26767483 0.70 UGCG (0.39) PARP1UGCG
SCHEMBL23891735 0.68 BRD4 (0.36) —

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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