SCHEMBL902159

SCHEMBL902159

COc1ccc(C2CSCC[N]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 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
SCHEMBL9164760 0.83 MAOA (0.43) MAOAMAOBALDH1A1RAB9ASMN1; SMN2
SCHEMBL3168644 0.77 KDM1A (0.38) KDM1AL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL9331689 0.70 MAOA (0.50) KDM1AMAOAMAOBALDH1A1GAA
SCHEMBL5542785 0.70 TAAR1 (0.43) MAOBSLC6A2SLC6A4SLC6A3
SCHEMBL11356576 0.69 MAOA (0.57) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL6308763 0.69 KDM1A (0.53) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL10271980 0.68 KDM1A (0.44) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL1880486 0.68 MAOA (0.48) KDM1AMAOAMAOBALDH1A1
SCHEMBL6254714 0.67 KDM1A (0.47) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL6258048 0.67 KDM1A (0.47) KDM1AMAOAMAOBALDH1A1RAB9A

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-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 WO disclosed