SCHEMBL9464682

SCHEMBL9464682

c1ccn(-c2nncs2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FBP1 P09467 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
GPX4 P36969 2/20 0.32

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
SCHEMBL967912 0.70 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL16198078 0.67 GPX4 (0.41) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5631103 0.62 AR (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL9465732 0.62 TSHR (0.30) TSHR
SCHEMBL7905948 0.61 KDM4E (0.35) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5629773 0.60 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2029290 0.60 KDM4E (0.32) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5761153 0.60 OGA (0.37)
SCHEMBL16720313 0.57 HDAC8 (0.37)
SCHEMBL8799262 0.56 KDM5B (0.41) KMT2ACYP1A2

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-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed