SCHEMBL11242467

SCHEMBL11242467

CC(=O)NC1=NN(c2cccc(Cl)n2)CC1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.58
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 3/20 0.39
GRM4 Q14833 1/20 0.37
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM4 P08173 2/20 0.35
GPX4 P36969 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL11057637 0.76 ABL1 (0.74) ABL1ALDH1A1MEN1KMT2A
SCHEMBL10656731 0.76 ABL1 (0.66) ABL1ALDH1A1MEN1ALOX15TSHR
SCHEMBL11191902 0.74 ABL1 (0.56) ABL1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL10846355 0.74 HTR3E (0.44) ALOX5ALDH1A1GRM4HTR3EHTR3B
SCHEMBL25138507 0.73 ABL1 (1.00) ABL1
SCHEMBL25703688 0.73 ABL1 (1.00) ABL1
SCHEMBL10656600 0.70 ABL1 (0.58) ABL1ALDH1A1MEN1ALOX15TSHR
SCHEMBL10916309 0.70 ABL1 (0.61) ABL1ALOX5ALDH1A1KMT2A
SCHEMBL11185863 0.68 ABL1 (0.44) ABL1ALOX5ALDH1A1GRM4HTR3E
SCHEMBL7393570 0.67 HTR3E (0.44) ALOX5ALDH1A1GRM4HTR3EHTR3B

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
US-4347251-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-08-31 US claimed
US-4347251-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-08-31 US disclosed