SCHEMBL27880909

SCHEMBL27880909

NC(=S)NC1(N)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.41
MAOB P27338 1/20 0.41
HDAC9 Q9UKV0 1/20 0.38
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SLC18A3 Q16572 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
SCHEMBL8457160 0.79 HDAC9 (0.43) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL8522960 0.75 POLB (0.45) KDM1AHDAC9
SCHEMBL10637900 0.74 KDM1A (0.46) KDM1AHDAC9
SCHEMBL16162172 0.72 KDM1A (0.43) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL29529186 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL30664080 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL30316454 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL788818 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL2147836 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1
SCHEMBL594461 0.69 KDM1A (0.50) KDM1AMAOBHDAC9TSHRTDP1

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
CN-102786504-A Asymmetric synthesis method of 2-amino-4H-benzopyran compound UNIV EAST CHINA NORMAL 2012-11-21 CN disclosed