SCHEMBL7984828

SCHEMBL7984828

Cc1c(CC=C=O)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD11B1 P28845 1/20 0.37
GPR3 P46089 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL6118386 0.81 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL4775813 0.80 LOXL2 (0.42) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL2388976 0.73 CNR2 (0.46) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL12507999 0.72 TAS1R3 (0.41) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL586085 0.72 GPR3 (0.44) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL2702753 0.72 LOXL2 (0.63) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL719251 0.72 GPR3 (0.44) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL1035524 0.72 LOXL2 (0.48) TAS1R3TAS1R1ALDH1A1LOXL2PRNP
SCHEMBL2845156 0.71 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PRNPRXFP1
SCHEMBL2387916 0.70 CNR2 (0.49) TAS1R3TAS1R1ALDH1A1LOXL2PRNP

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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO disclosed