SCHEMBL9730904

SCHEMBL9730904

COC(=O)Cn1nnnc1-c1scc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 2/20 0.39
CASP3 P42574 1/20 0.39
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX15 P16050 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL9689917 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AHPGDHSD17B10TSHR
SCHEMBL9690103 0.77 ALDH1A1 (0.43) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL5966689 0.76 TRPV1 (0.59) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL8947317 0.74 ALDH1A1 (0.57) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL8947250 0.74 TRPV1 (0.48) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL8947310 0.74 TRPV1 (0.63) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL8947336 0.73 TRPV1 (0.56) TRPV1KDM4EALDH1A1KMT2ALMNA
SCHEMBL8947264 0.72 P2RX7 (0.49) TRPV1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8947228 0.72 MAPK1 (0.40) TRPV1ALDH1A1HPGDMAPK1CYP1A2
SCHEMBL9688895 0.71 KDM4E (0.43) KDM4EALDH1A1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4297474-A None JP disclosed
JP-H04297474-A TETRAZOLEACETIC ACID DERIVATIVE WAKAMOTO PHARMACEUT CO LTD 1992-10-21 JP disclosed