SCHEMBL11526228

SCHEMBL11526228

N#CCC(=O)N(C(=O)CC#N)c1cc(Cl)c(N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ SLC9A1 P19634 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HTR3A P46098 2/20 0.31
▸ HTR4 Q13639 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ KCNH2 Q12809 2/20 0.30
▸ HTR3E A5X5Y0 1/20 0.30
▸ SLC22A1 O15245 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MPO P05164 1/20 0.30

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
SCHEMBL10947114 0.76 GAA (0.40) GAASLC9A1ALDH1A1KDM4ECYP1A2
SCHEMBL11311574 0.68 CYP3A4 (0.38) GAAALDH1A1KDM4ECYP3A4TSHR
SCHEMBL11523520 0.65 CYP19A1 (0.40) GAAALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL7581003 0.65 ALDH1A1 (0.37) GAAALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL25174825 0.64 ABL1 (0.46) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL7073779 0.62 GAA (0.57) GAAALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL30498666 0.62 GAA (0.57) GAAALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL64092 0.61 GAA (1.00) GAAALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL2087687 0.59 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL6402873 0.59 GAA (0.52) GAAALDH1A1KDM4ECYP1A2CYP2D6

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-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 — — US disclosed
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