SCHEMBL20069743

SCHEMBL20069743

O=C(NC1CCN(S)C1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.63
▸ CTSB P07858 2/20 0.63
▸ CTSK P43235 2/20 0.63
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CARM1 Q86X55 1/20 0.55
▸ PRMT6 Q96LA8 1/20 0.55
▸ DRD2 P14416 2/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ POLB P06746 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ USP30 Q70CQ3 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL20962706 0.90 MEN1 (0.62) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL994466 0.81 CTSL (0.63) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL358264 0.81 CTSL (0.63) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL10274561 0.81 CTSL (0.63) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL25692665 0.80 CTSL (0.62) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL24371203 0.79 CTSL (0.60) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL22652448 0.79 CTSL (0.60) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL27553686 0.79 CTSL (0.60) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL20201377 0.79 CTSL (0.60) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL10168794 0.78 HRH3 (0.67) CTSLCTSBCTSKMEN1KMT2A

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 — — WO disclosed
Send feedback