SCHEMBL30801894

SCHEMBL30801894

O=C1[C@H]2CNCCN2CCN1c1ncc(-c2ccc(F)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 1/20 0.36
USP30 Q70CQ3 3/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHEK1 O14757 1/20 0.33
TSHR P16473 3/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL30801791 0.90 USP30 (0.45) USP30CHEK1MAPK1ALDH1A1
SCHEMBL30801881 0.90 USP30 (0.45) USP30CHEK1MAPK1ALDH1A1
SCHEMBL30801787 0.85 USP30 (0.37) USP30CHEK1SMN1; SMN2ALDH1A1
SCHEMBL30801827 0.85 USP30 (0.37) USP30CHEK1SMN1; SMN2ALDH1A1
SCHEMBL30801856 0.83 USP30 (0.42) USP30CHEK1TSHRCYP1A2CYP3A4
SCHEMBL30801732 0.83 USP30 (0.42) USP30CHEK1TSHRCYP1A2CYP3A4
SCHEMBL30801831 0.80 KDR (0.38) USP30
SCHEMBL30801821 0.80 KDR (0.38) USP30
SCHEMBL23573930 0.80 USP30 (0.49) USP30
SCHEMBL23573933 0.80 USP30 (0.49) USP30

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-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed