SCHEMBL9856660

SCHEMBL9856660

CCNC(=S)NCCSc1ccc(SC(C)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.45
LMNA P02545 13/20 0.45
HTT P42858 11/20 0.45
ALOX12 P18054 9/20 0.45
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9856024 0.86 LMNA (0.44) MAPTLMNAHTTALOX12MEN1
SCHEMBL9855981 0.84 MAPT (0.40) MAPTLMNAHTTALOX12MEN1
SCHEMBL9856153 0.82 LMNA (0.41) MAPTLMNAHTTALOX12MEN1
SCHEMBL9856021 0.79 MTNR1A (0.44) LMNAHTTALDH1A1CYP1A2CYP3A4
SCHEMBL9856226 0.76 MTNR1A (0.44) LMNAHTTKMT2AALDH1A1CYP1A2
SCHEMBL9856338 0.75 MAPT (0.48) MAPTLMNAHTTALOX12MEN1
SCHEMBL9856284 0.74 CA2 (0.43) MAPTLMNAHTTALOX12MEN1
SCHEMBL9856352 0.71 MAOA (0.42) LMNAHPGD
SCHEMBL10394300 0.69 SLC6A4 (0.50) HTTHPGD
SCHEMBL9855896 0.69 L3MBTL1 (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2

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