SCHEMBL11312464

SCHEMBL11312464

CCC(N)N(Cc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
KCNA5 P22460 1/20 0.46
CRHBP P24387 3/20 0.39
CRHR2 Q13324 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.38
S1PR1 P21453 2/20 0.38
NR3C1 P04150 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
PTGES O14684 2/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL11322173 0.81 TSHR (0.48) TSHRLMNAALDH1A1SLC6A2SLC6A4
SCHEMBL11320797 0.73 CYP2C19 (0.54) TSHRLMNAALDH1A1NPSR1NR3C1
SCHEMBL7361444 0.73 KCNN4 (0.46) KCNN4KCNA5LMNAMEN1NPC1
SCHEMBL7652541 0.72 KCNA5 (0.52) KCNN4KCNA5CRHBPCRHR2TSHR
SCHEMBL11306996 0.71 LTA4H (0.44) LMNAHTTSMN1; SMN2NPSR1MEN1
SCHEMBL934148 0.71 PTGDR2 (0.54) KCNN4KCNA5CRHBPCRHR2LMNA
SCHEMBL14479687 0.70 PER2 (0.54) KCNN4KCNA5LMNAALDH1A1SMN1; SMN2
SCHEMBL11315718 0.70 TDP1 (0.46) TSHRMEN1NPC1KMT2ASLC6A4
SCHEMBL16484545 0.69 TSHR (0.52) KCNN4KCNA5TSHRLMNAALDH1A1
SCHEMBL5839123 0.69 TSHR (0.52) KCNN4KCNA5TSHRLMNAALDH1A1

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-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed