SCHEMBL11432308

SCHEMBL11432308

CCc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1B P35368 5/20 0.36
HTR1A P08908 4/20 0.36
DHODH Q02127 1/20 0.36
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ADRA1A P35348 2/20 0.33
TSHR P16473 1/20 0.33
ADRA1D P25100 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
SCHEMBL11533850 0.80 KDM4C (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL7070074 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10387219 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL11420507 0.74 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2ALKBH5
SCHEMBL10997289 0.73 POLB (0.47) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL11773330 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL9505990 0.73 ALKBH5 (0.66) ALDH1A1KDM4EMAPTSMN1; SMN2NOTUM
SCHEMBL10995515 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL23398687 0.72 KDM4E (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL7577911 0.70 NOTUM (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1

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
US-4207233-A Azo dyes containing a thiazole component BASF AKTIENGESELLSCHAFT (DE) 1980-06-10 US disclosed