SCHEMBL29119413

SCHEMBL29119413

Nc1ccc2c(c1[N+](=O)[O-])CCNCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.55
HTR2A P28223 9/20 0.55
HTR2B P41595 9/20 0.55
PNMT P11086 4/20 0.46
ADRA2A P08913 3/20 0.46
CD44 P16070 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
ADRB1 P08588 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL2245003 0.81 GRIN2D (0.41) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL2245425 0.81 GRIN2D (0.44) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL11332933 0.80 PNMT (0.45) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL13006229 0.80 GRIN2D (0.40) MEN1KMT2AUSP2KEAP1NFE2L2
SCHEMBL29119458 0.76 HTR2A (0.56) HTR2CHTR2AHTR2BADRA2AMEN1
SCHEMBL2241557 0.71 HTR2A (0.50) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL6097017 0.70 HTR2C (0.62) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL3600557 0.70 PNMT (0.49) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL22445620 0.70 PNMT (0.52) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL3606170 0.70 HTR2A (0.50) HTR2CHTR2AHTR2BPNMTADRA2A

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-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed