SCHEMBL934513

SCHEMBL934513

Cc1ccc(NNCCc2ccc(Cl)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.43
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
GALR3 O60755 1/20 0.38
PLK1 P53350 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1711015 0.85 MAPT (0.53) GAASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL1120384 0.85 GAA (0.49) GAASMN1; SMN2ALDH1A1RAB9ACNR1
Hydrochloric Acid SCHEMBL119951 0.84 GAA (0.48) GAASMN1; SMN2ALDH1A1RAB9ACNR1
SCHEMBL990693 0.79 GAA (0.47) GAASMN1; SMN2RAB9ACNR1LMNA
SCHEMBL5045220 0.74 TAAR1 (0.57) GAASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL991931 0.73 TAAR1 (0.52) GAASMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL7488316 0.73 RAB9A (0.49) SMN1; SMN2ALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL25804595 0.72 GAA (0.49) GAASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL13232446 0.70 PLK1 (0.47) GAASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL989796 0.70 TAAR1 (0.55) SMN1; SMN2RAB9ACNR1L3MBTL1MAPT

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
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed