SCHEMBL7657979

SCHEMBL7657979

COc1cc(OC)c(NC(=S)Nc2cccc(N)c2Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ALDH1A1 P00352 11/20 0.62
MAPT P10636 8/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 4/20 0.59
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.50
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALOX12 P18054 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL7661245 0.84 MEN1 (0.57) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL7657974 0.83 KMT2A (0.68) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6814960 0.82 ALDH1A1 (0.66) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL7687310 0.81 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6814781 0.80 ALDH1A1 (0.66) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6811000 0.80 ALDH1A1 (0.63) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6816565 0.80 MAPT (0.60) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6811910 0.80 ALDH1A1 (0.66) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6816004 0.80 ALDH1A1 (0.66) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL6815568 0.79 ALDH1A1 (0.69) MEN1KMT2ANPSR1ALDH1A1MAPT

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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed