SCHEMBL25324841

SCHEMBL25324841

COc1ccc2c(c1)c(C1NO1)cn2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.56
PLA2G2A P14555 3/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
SLC5A2 P31639 2/20 0.47
SLC5A1 P13866 1/20 0.47
KCNA3 P22001 1/20 0.46
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G1B P04054 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 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
SCHEMBL25322491 0.81 HTR6 (0.50) HTR6LMNAALDH1A1SLC5A2SLC5A1
SCHEMBL16494825 0.78 HTR6 (0.64) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL25323076 0.77 ADRB2 (0.49) HTR6ALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL9583699 0.76 HTR6 (0.72) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL12083183 0.76 PLA2G2A (0.74) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL25322972 0.75 KCNA3 (0.44) LMNAALDH1A1SLC5A2SLC5A1KCNA3
SCHEMBL12650575 0.74 HTR6 (0.48) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL1780399 0.74 ALDH1A1 (0.64) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL13240244 0.74 HTR6 (0.76) HTR6PLA2G2ALMNAALDH1A1MTNR1A
SCHEMBL25324844 0.74 HTR6 (0.59) HTR6PLA2G2ALMNAALDH1A1MTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137771-A1 METHOD FOR SYNTHESIZING α-ALKYL SUBSTITUTED INDOLE-3-CARBOXALDEHYDE COMPOUND 苏州大学 2023-07-27 WO disclosed
CN-114478351-B Method for synthesizing alpha-alkyl substituted indole-3-formaldehyde compound 苏州大学 2023-04-28 CN disclosed
CN-114478351-A Method for synthesizing alpha-alkyl substituted indole-3-formaldehyde compound 苏州大学 2022-05-13 CN disclosed