SCHEMBL9856352

SCHEMBL9856352

CCC(C)Sc1ccc(SCCN)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 4/20 0.42
SLC6A4 P31645 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.34
SLC2A1 P11166 1/20 0.33
LMNA P02545 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL9856284 0.81 CA2 (0.43) MAOAMAOBSLC6A4CA12CA1
SCHEMBL10394300 0.80 SLC6A4 (0.50) MAOAMAOBSLC6A4HPGD
SCHEMBL9856269 0.77 TAAR1 (0.44)
SCHEMBL3667550 0.77 ALDH1A1 (0.48) MAOAMAOBSLC6A4CA12CA1
SCHEMBL11309197 0.76 MAPK1 (0.42) MAOASLC6A4TSHR
SCHEMBL2155058 0.75 MEN1 (0.49) MAOAMAOBSLC6A4LMNA
SCHEMBL9855943 0.74 MAOA (0.39) MAOAMAOBSLC6A4CA12CA1
SCHEMBL9856172 0.74 HPGD (0.40) MAOAMAOBHPGDTSHR
SCHEMBL9856153 0.73 LMNA (0.41) HPGDLMNA
SCHEMBL9856024 0.73 LMNA (0.44) HPGDLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed