SCHEMBL24516995

SCHEMBL24516995

N#Cc1cc2c(cc1-n1nnc3ccccc31)CC(F)(F)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TSHR P16473 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.42
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL24266819 0.72 KDM4E (0.52) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL22296045 0.69 POLB (0.54) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL22561764 0.68 GRM2 (0.52) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL21654381 0.67 SMN1; SMN2 (0.37) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL25034321 0.67 POLB (0.51) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL23586723 0.66 SMN1; SMN2 (0.54) POLBKDM4ESMN1; SMN2TSHRNPSR1
Methane SCHEMBL19660217 0.65 POLB (0.52) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL21651104 0.64 NPSR1 (0.47) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL23586698 0.64 MAPT (0.51) POLBKDM4ESMN1; SMN2TSHRNPSR1
SCHEMBL18926478 0.63 SMN1; SMN2 (0.41) POLBKDM4ESMN1; SMN2TSHRNPSR1

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-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 — — WO disclosed
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