SCHEMBL26046875

SCHEMBL26046875

C=C/C=C\C(=C/C)NCc1c(C)cccc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL18642657 0.83 GAA (0.33) KMT2AP2RX7HDAC3HDAC1HDAC2
SCHEMBL19697636 0.76 P2RX7 (0.46) P2RX7CYP3A4
SCHEMBL19697613 0.73 P2RX7 (0.41) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL26045507 0.72 P2RX7 (0.33) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL18639384 0.72 SMN1; SMN2 (0.50) KMT2AGAASMN1; SMN2
SCHEMBL25957148 0.69 MMP1 (0.33) —
SCHEMBL27434635 0.69 GRIN2D (0.31) KMT2A
SCHEMBL21400696 0.68 MAOA (0.33) KMT2ASMN1; SMN2
SCHEMBL26190694 0.66 — —
SCHEMBL27432203 0.65 MTNR1A (0.35) KMT2A

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-2023158769-A1 PROCESSES FOR THE PREPARATION OF N-(1- METHYLCYCLOPROPYL)-2-(3 -PYRIDINYL)-2H- INDAZOLE-4-CARBOXAMIDE AND INTERMEDIATES THEREOF FMC CORPORATION (US) 2023-08-24 — — WO disclosed
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