SCHEMBL7297002

SCHEMBL7297002

Cn1nc(-c2ccccc2F)n(C)c1=S

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
HSD11B1 P28845 3/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 2/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
PKM P14618 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
SCHEMBL7302275 0.82 ALDH1A1 (0.33) TDP1HSD11B1ALDH1A1KDM4EPDE2A
SCHEMBL7304540 0.79 KDM4E (0.40) HSD11B1KDM4EPDE10A
SCHEMBL10470912 0.79 HSD11B1 (0.59) TDP1HSD11B1ALDH1A1KDM4EPOLB
SCHEMBL7298467 0.76 NR1H2 (0.48) HSD11B1APOBEC3GRXFP1
SCHEMBL7299383 0.73 ALDH1A1 (0.43) TDP1ALDH1A1HSD17B10KDM4EAPOBEC3G
SCHEMBL13201981 0.73 ADRA1A (0.43) TDP1HSD11B1ALDH1A1ALOX15HSD17B10
SCHEMBL7435538 0.72 GRM5 (0.38) ALDH1A1HSD17B10APOBEC3G
SCHEMBL9222791 0.72 ALDH1A1 (0.71) TDP1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL10941820 0.71 NPC1 (0.49) HSD11B1ALDH1A1HSD17B10PDE2APDE10A
SCHEMBL14077015 0.70 HSD11B1 (0.58) HSD11B1POLBPDE2APDE10ADCTPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452926-B1 5-aryl-4-alkyl-3H-1,2,4-triazole-3-thiones useful as memory enhancers MERRELL DOW PHARMA (US) 1996-03-13 EP claimed
US-5331002-A 5-aryl-4-alkyl-3H-1,2,4-triazole-3-thiones useful as memory enhancers MERRELL DOW PHARMACEUTICALS INC. (US) 1994-07-19 US claimed
US-5236942-A 5-aryl-4-alkyl-3H-1,2,4-triazole-3-thiones useful in the treatment of Altzheimer's dementia MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-17 US claimed
US-5100906-A 5-ARYL-4-ALKYL-3H-1,2,4-TRIAZOLE-3-THIONES USEFUL AS MEMORY ENHANCERS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-31 US claimed
EP-0452926-A2 5-aryl-4-alkyl-3H-1,2,4-triazole-3-thiones useful as memory enhancers MERRELL PHARMACEUTICALS INC. (US) 1991-10-23 EP claimed
US-4912095-A 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones useful as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-27 US claimed
US-4775688-A 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones and their use as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-04 US claimed
US-4912095-A 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones useful as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-27 US disclosed
US-4775688-A 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones and their use as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1988-10-04 US disclosed
EP-0280867-A1 Process for the preparation of 5-aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-07 EP disclosed
EP-0221485-A1 5-Aryl-2,4-dialkyl-3H-1,2,4-triazole-3-thiones and their use as antidepressants MERRELL DOW PHARMACEUTICALS INC. (US) 1987-05-13 EP disclosed