SCHEMBL9625865

SCHEMBL9625865

CC(C)(C)n1ncc(SCc2ccc(C(=CCl)c3ccc(Cl)cc3)cc2)c(Cl)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
RAB9A P51151 5/20 0.67
MEN1 O00255 5/20 0.67
NPC1 O15118 3/20 0.67
GALR3 O60755 1/20 0.67
NR2F2 P24468 1/20 0.67
GPR183 P32249 1/20 0.67
GPR35 Q9HC97 1/20 0.67
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 6/20 0.36
HPGD P15428 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL9625863 1.00 KMT2A (0.67) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9775193 0.90 NPC1 (0.81) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9240139 0.89 KMT2A (0.70) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL29034522 0.84 NPC1 (0.71) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL10700020 0.84 NPC1 (0.71) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL29034524 0.82 NPC1 (0.69) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9239707 0.81 RAB9A (0.67) KMT2ARAB9AMEN1NPC1GALR3
SCHEMBL9238698 0.81 RAB9A (0.67) KMT2ARAB9AMEN1NPC1GALR3
Pyridaben SCHEMBL27429 0.81 MEN1 (1.00) KMT2ARAB9AMEN1NPC1GALR3
Pyridaben SCHEMBL8372466 0.81 MEN1 (1.00) KMT2ARAB9AMEN1NPC1GALR3

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
US-5169848-A Insecticides, miticides PRESIDENZA DEL CONSIGLIO DEI MINISTRI-UFFICIO DEL MINISTRO PER IL COORDINAMENTO DELLE INIZIATIVE PER LA RICERVA SCIENTIFICA E TECNOLOGICA (IT) 1992-12-08 US claimed