SCHEMBL23341096

SCHEMBL23341096

O[C@@H]1CCCN(c2ncc(C(F)(F)F)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 6/20 0.52
▸ LMNA P02545 2/20 0.47
▸ CCNE2 O96020 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ METAP2 P50579 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SLC6A9 P48067 4/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CAMK1D Q8IU85 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
SCHEMBL23341085 1.00 IDH2 (0.52) IDH2LMNACCNE2CCNE1CDK2
SCHEMBL20180775 0.83 HDAC6 (0.47) IDH2CCNE2CCNE1CDK2HDAC6
SCHEMBL19574003 0.83 HDAC6 (0.47) IDH2CCNE2CCNE1CDK2HDAC6
SCHEMBL14314163 0.82 TLR7 (0.45) LMNAKDM4EUSP2ALOX15TSHR
SCHEMBL355858 0.81 LCAT (0.48) IDH2LMNAMETAP2SLC6A3GABRA1
SCHEMBL23246818 0.80 HDAC6 (0.50) IDH2CCNE2CCNE1CDK2HDAC6
SCHEMBL19145301 0.80 HDAC6 (0.50) IDH2HDAC6KDM4EHSD17B10AOC3
SCHEMBL29729367 0.79 EIF2AK4 (0.57) IDH2LMNAKDM4EUSP2ALOX15
SCHEMBL29729356 0.78 EIF2AK4 (0.49) LMNAKDM4EUSP2ALOX15TSHR
SCHEMBL24968333 0.78 OGA (0.46) IDH2KDM4E

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-2021087025-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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