SCHEMBL28158704

SCHEMBL28158704

CS(=O)(=O)c1ccc(Cc2ccc3ncccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MET P08581 6/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PLK1 P53350 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ CHKA P35790 1/20 0.42
▸ GPR39 O43194 1/20 0.42

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
SCHEMBL17442655 0.83 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2METNAMPT
SCHEMBL28250308 0.80 ALDH1A1 (0.66) PDE10AALDH1A1LMNASMN1; SMN2MET
SCHEMBL27824234 0.80 MET (0.53) PDE10AALDH1A1SMN1; SMN2METNPC1
SCHEMBL12048987 0.77 MET (0.72) MET
SCHEMBL28254153 0.77 MET (0.55) PDE10AALDH1A1SMN1; SMN2METNPC1
SCHEMBL27988345 0.77 MET (0.55) PDE10AALDH1A1SMN1; SMN2METNPC1
SCHEMBL28158703 0.77 NPC1 (0.46) PDE10AALDH1A1SMN1; SMN2METNPC1
SCHEMBL28050970 0.77 PDE10A (0.55) PDE10AALDH1A1METNPC1POLB
SCHEMBL27860197 0.76 MET (0.49) PDE10AALDH1A1SMN1; SMN2METNPC1
SCHEMBL4049830 0.75 ALDH1A1 (0.46) PDE10AALDH1A1LMNASMN1; SMN2MET

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
CN-105209453-B The quinolyl conditioning agent of the methylene connection of ROR γ T 詹森药业有限公司 2017-06-20 — — CN disclosed
Send feedback