SCHEMBL9000153

SCHEMBL9000153

N#Cc1c(N)sc2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
GRM6 O15303 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL4835675 0.85 GRM6 (0.46) IDO1GRM6MAPTALDH1A1KDM4E
SCHEMBL9016796 0.76 GRIA4 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9016795 0.73 ALDH1A1 (0.36) MAPTALDH1A1KDM4EMEN1KMT2A
Water SCHEMBL27930773 0.72 GPR3 (0.65) MAPTALDH1A1KDM4EMEN1KMT2A
Water SCHEMBL8091139 0.72 GPR3 (0.65) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11260561 0.72 GRIA4 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
Water SCHEMBL28769669 0.71 KDM4E (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11331315 0.71 LIMK1 (0.46) IDO1GRM6MAPTALDH1A1KDM4E
SCHEMBL29374932 0.70 GPR3 (0.68) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4696033 0.70 GPR3 (0.68) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013771-A SUBSTITUTED 2-AMINOTHIOCHROMONES WARNER-LAMBERT COMPANY (US) 1977-03-22 US claimed
EP-0552493-B1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF AG (DE) 1996-09-11 EP disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0552493-A1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
US-4013771-A SUBSTITUTED 2-AMINOTHIOCHROMONES WARNER-LAMBERT COMPANY (US) 1977-03-22 US disclosed