SCHEMBL30319413

SCHEMBL30319413

C=C(OCC)c1n[nH]c(=O)c2cc(F)c(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADORA1 P30542 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL30319315 0.85 POLB (0.50) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL30319379 0.80 POLB (0.72) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL24077092 0.80 POLB (0.47) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL30319378 0.79 POLB (0.52) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL30319372 0.79 POLB (0.49) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL30319377 0.74 KMT2A (0.38) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL30319369 0.74 KMT2A (0.42) POLBALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL8190554 0.70 KDM4E (0.40) POLBALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL23792137 0.67 JAK2 (0.50) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24076910 0.65 TSHR (0.51) POLBALDH1A1SMN1; SMN2TSHRKMT2A

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
EP-4161905-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF Arbutus Biopharma Corporation (CA) 2023-04-12 — — EP disclosed
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