SCHEMBL31025635

SCHEMBL31025635

c1cc(-c2ccc(N3CCOCC3)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.55
PRKDC P78527 4/20 0.51
GAK O14976 1/20 0.49
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CB P42338 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.46
P2RX3 P56373 1/20 0.45
MTOR P42345 1/20 0.45
LGMN Q99538 1/20 0.45

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
SCHEMBL2879730 0.91 AR (0.48) ARPRKDCGAKEP300KAT2B
SCHEMBL28317359 0.82 HRH4 (0.57) ALDH1A1MAPTKMT2AKDM4E
SCHEMBL27743819 0.81 LMNA (0.52) ARPRKDCGAKEP300KAT2B
SCHEMBL7607968 0.81 DRD3 (0.57) MEN1MAPTKMT2ALMNACYP2E1
SCHEMBL13118688 0.81 ADRB1 (0.50) ALDH1A1LMNAKDM4EHSD17B10USP2
SCHEMBL13735487 0.79 AR (0.49) ARPRKDCGAKEP300KAT2B
SCHEMBL5499160 0.78 SYK (0.53) ARGAKNPC1MAPTRAB9A
SCHEMBL9093746 0.76 LMNA (0.71) PRKDCEP300KAT2BPIK3CAPIK3CG
SCHEMBL5133066 0.75 LMNA (0.72) ARPRKDCALDH1A1MEN1NPC1
SCHEMBL31025628 0.75 MAPT (0.49) EP300KAT2BALDH1A1NPC1MAPT

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-107898790-B Antiviral JAK inhibitors for the treatment or prevention of retroviral and other viral infections 埃默里大学 2024-06-21 CN disclosed