SCHEMBL25322972

SCHEMBL25322972

Clc1ccc2c(C3NO3)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 10/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SLC5A2 P31639 2/20 0.43
SLC5A1 P13866 1/20 0.43
SCN2A Q99250 1/20 0.42
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4882103 0.79 HTR6 (0.50) KCNA3CNR1CNR2KLK7
SCHEMBL25322491 0.78 HTR6 (0.50) SLC5A2SLC5A1ALDH1A1LMNASMN1; SMN2
SCHEMBL25324841 0.75 HTR6 (0.56) KCNA3SLC5A2SLC5A1ALDH1A1LMNA
SCHEMBL25322622 0.75 DRD2 (0.37) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL17829679 0.71 ALDH1A1 (0.57) KCNA3CNR1CNR2ALDH1A1LMNA
SCHEMBL3105145 0.71 SERPINE1 (0.59) CNR1CNR2ALDH1A1LMNASMN1; SMN2
SCHEMBL28522604 0.71 KCNA3 (0.47) KCNA3CNR1CNR2SCN2AALDH1A1
SCHEMBL25322976 0.71 KCNA3 (0.47) KCNA3CNR1CNR2SCN2AALDH1A1
SCHEMBL25319531 0.71 HRH1 (0.54) CNR1CNR2SLC5A2SLC5A1KLK7
SCHEMBL14280679 0.70 CNR1 (0.48) CNR1CNR2

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