SCHEMBL8967161

SCHEMBL8967161

CC(C)CNSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
TAAR1 Q96RJ0 2/20 0.36
AOC3 Q16853 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGLL Q99685 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL19350558 0.82 MAOA (0.37) MAOAMAOBSLC6A4ALDH1A1MEN1
SCHEMBL30310011 0.81 HPGD (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16709962 0.80 MTNR1A (0.37) MAOAMAOBSLC6A4ALDH1A1MTNR1A
SCHEMBL8967808 0.79 HPGD (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29321170 0.79 TRPA1 (0.33) MAOAMAOBMTNR1AMTNR1BMAPK1
SCHEMBL28375502 0.78 ALDH1A1 (0.36) MAOAMAOBALDH1A1MAPTMTNR1A
SCHEMBL7362589 0.75 ALDH1A1 (0.40) MAOAMAOBSLC6A4ALDH1A1MAPT
SCHEMBL8967678 0.74 HAO1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
Bromide SCHEMBL11192117 0.73 ALDH1A1 (0.39) MAOAMAOBSLC6A4ALDH1A1MAPT
SCHEMBL8967314 0.72 SMN1; SMN2 (0.44) MAOAMAOBSLC6A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed
EP-0553081-A1 PESTICIDES. ROUSSEL UCLAF (FR) 1993-08-04 EP disclosed
WO-1991016301-A1 PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-31 WO disclosed