SCHEMBL28042110

SCHEMBL28042110

N#Cc1cccc(CSc2ccccc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
HSD11B1 P28845 1/20 0.42
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL28321431 0.81 MAOB (0.46) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL6894811 0.76 GRM2 (0.44) MAOAMAOBALDH1A1RAB9ATSHR
SCHEMBL13462071 0.73 SMN1; SMN2 (0.59) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL8589494 0.72 MAOA (0.44) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL6958245 0.71 CA1 (0.37) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL28215006 0.71 S1PR1 (0.40) MAOAMAOBALDH1A1RAB9AGAA
SCHEMBL27756124 0.71 SMN1; SMN2 (0.37) MAOAMAOBALDH1A1L3MBTL1TSHR
SCHEMBL11524213 0.71 GABRA1 (0.41) MAOAMAOBTSHRSMN1; SMN2HSD11B1
SCHEMBL1125092 0.71 SMN1; SMN2 (0.37) MAOAMAOBALDH1A1TSHRSMN1; SMN2
SCHEMBL497284 0.70 KDM4E (0.51) MAOAMAOBALDH1A1L3MBTL1NPSR1

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-105093867-A Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC 2015-11-25 CN disclosed