SCHEMBL28192182

SCHEMBL28192182

CNC(=O)Nc1cn(-c2cccc(Br)c2)nc1NC=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL28854135 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28192167 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6468154 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28192204 0.76 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28192254 0.76 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28854136 0.73 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28191537 0.73 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL18039469 0.69 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL28191563 0.68 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL18039550 0.68 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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
CN-107406427-A Alkynyl alcohols and methods of use thereof 豪夫迈·罗氏有限公司 2017-11-28 CN disclosed