SCHEMBL14038673

SCHEMBL14038673

CCC(c1ccccc1)c1ccc2c(C#N)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.51
▸ IMPDH1 P20839 1/20 0.50
▸ GPR84 Q9NQS5 1/20 0.40
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ SLC6A4 P31645 7/20 0.37
▸ EP300 Q09472 6/20 0.36
▸ HAT1 O14929 5/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2300728 0.85 IMPDH2 (0.50) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL13182065 0.85 IMPDH2 (0.48) IMPDH2IMPDH1GPR84CCNT1CDK9
SCHEMBL2300147 0.84 SLC6A4 (0.56) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3
SCHEMBL2304617 0.81 IMPDH2 (0.45) IMPDH2IMPDH1EP300HAT1CYP2D6
SCHEMBL18412741 0.78 IMPDH2 (0.51) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL2357362 0.76 IMPDH2 (0.48) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL2303415 0.75 IMPDH2 (0.48) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL2300841 0.74 IMPDH2 (0.45) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3
SCHEMBL2300563 0.74 IMPDH2 (0.48) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3
SCHEMBL2302160 0.74 SLC6A4 (0.59) IMPDH2IMPDH1SLC6A4SLC6A2SLC6A3

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-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
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