SCHEMBL9306407

SCHEMBL9306407

CN(C)c1ccc2[nH]c(S)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
TERT O14746 1/20 0.50
EGFR P00533 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
APAF1 O14727 1/20 0.39
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
AURKA O14965 3/20 0.36
AR P10275 1/20 0.36
ELANE P08246 2/20 0.35
MAPT P10636 2/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9306417 0.86 TCF4 (0.48) APPTERTEGFRPDE3BPDE3A
SCHEMBL229607 0.76 KMT2A (0.44) PDE3BPDE3AMAPTALDH1A1HPGD
SCHEMBL863229 0.75 MEN1 (0.32) MAPTALDH1A1MEN1NPC1RAB9A
SCHEMBL29822961 0.75 MEN1 (0.32) MAPTALDH1A1MEN1NPC1RAB9A
SCHEMBL10841299 0.74 KMT2A (0.43) PDE3BPDE3AMAPTALDH1A1HPGD
Methyl Alcohol SCHEMBL4797570 0.73 CYP1A2 (0.46) PDE3BPDE3AMAPTALDH1A1HPGD
SCHEMBL13533675 0.72 NOS1 (0.41) APPMAPTMEN1RAB9AKMT2A
SCHEMBL1143305 0.72 MAPKAPK2 (0.49) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL482225 0.72 F7 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL712511 0.72 ALPL (0.40) PDE3BPDE3AMAPTALDH1A1HPGD

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed