SCHEMBL28678200

SCHEMBL28678200

CC1(C)CCCC(C)(C)N1.O=C(O)c1cc(C(F)(F)F)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.33
ASPH Q12797 1/20 0.33
P2RX7 Q99572 2/20 0.33
DHODH Q02127 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SORT1 Q99523 1/20 0.32
NOTUM Q6P988 3/20 0.32
GAA P10253 1/20 0.32
RORC P51449 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL29455012 1.00 SYK (0.33) SYKASPHP2RX7DHODHHCRTR1
SCHEMBL2397361 0.83 ASPH (0.45) SYKASPHP2RX7SORT1
SCHEMBL30064462 0.83 ASPH (0.45) SYKASPHP2RX7SORT1
SCHEMBL14921073 0.72 ASPH (0.46) SYKASPHP2RX7SORT1TRPM8
SCHEMBL29754010 0.72 ASPH (0.46) SYKASPHP2RX7SORT1TRPM8
SCHEMBL22542503 0.71 SMARCA2 (0.38) ASPHP2RX7GAA
SCHEMBL22542502 0.70 CASP1 (0.42) GAA
SCHEMBL24391437 0.69 MAPT (0.47) NOTUMGAA
SCHEMBL20998146 0.69 SMN1; SMN2 (0.35) SYKP2RX7
SCHEMBL31561427 0.69 MAPT (0.47) NOTUMGAA

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
CN-115023426-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 CN disclosed
CN-113811532-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2021-12-17 CN disclosed