SCHEMBL30592002

SCHEMBL30592002

FC(F)(F)c1ccc(Oc2nccnc2N2CCNCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
SCN7A Q01118 2/20 0.46
KCNH2 Q12809 2/20 0.46
SCN9A Q15858 4/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
ADRB1 P08588 2/20 0.44
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
LIPE Q05469 5/20 0.41
BCHE P06276 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL26104844 0.85 EPHX2 (0.51) EPHX2SCN7AKCNH2SCN9AADRB1
SCHEMBL31474533 0.85 EPHX2 (0.51) EPHX2SCN7AKCNH2SCN9AADRB1
SCHEMBL30591805 0.79 SMN1; SMN2 (0.48) SCN9ALIPEBCHESMN1; SMN2CYP3A4
SCHEMBL26104579 0.79 MAPT (0.41) SCN9ALIPEBCHEKMT2ASMN1; SMN2
SCHEMBL26107556 0.79 SMN1; SMN2 (0.48) SCN9ALIPEBCHESMN1; SMN2CYP3A4
SCHEMBL27505893 0.77 HTR2C (0.47) EPHX2ADRB2NCF1
SCHEMBL26134573 0.76 EPHX2 (0.47) EPHX2ADRB1
SCHEMBL30591932 0.76 EPHX2 (0.47) EPHX2SCN9ASCN10AADRB1
SCHEMBL26134481 0.76 EPHX2 (0.47) EPHX2SCN9ASCN10AADRB1
SCHEMBL26107260 0.76 HTR2C (0.47) SCN7AKCNH2SCN9ASCN5ASCN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496570-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS The Scripps Research Institute (US) 2025-01-29 EP disclosed
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 WO disclosed