SCHEMBL11599360

SCHEMBL11599360

O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)c2ccccc2[s+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
AHR P35869 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
CYP1B1 Q16678 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
TUBB4A P04350 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
SCHEMBL11599724 0.88 MAPT (0.45) KMT2ASMN1; SMN2HPGDMEN1MAPT
SCHEMBL11599650 0.83 ALDH1A1 (0.51) KMT2ASMN1; SMN2HPGDMEN1MAPT
SCHEMBL11602662 0.80 KMT2A (0.43) KMT2ASMN1; SMN2HPGDMEN1MAPT
SCHEMBL11600447 0.79 CA12 (0.41) KMT2AHPGDMEN1MAPTNPSR1
SCHEMBL11599564 0.78 MEN1 (0.44) KMT2AHPGDMEN1MAPTGAA
SCHEMBL11598774 0.77 EPHX2 (0.41) KMT2ASMN1; SMN2HPGDMEN1ALDH1A1
SCHEMBL11599734 0.77 MEN1 (0.42) KMT2ASMN1; SMN2MEN1MAPTNPSR1
SCHEMBL11600615 0.76 MEN1 (0.41) KMT2ASMN1; SMN2MEN1MAPTNPSR1
SCHEMBL11599716 0.76 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1POLB
SCHEMBL440767 0.75 AKR1C3 (0.51) AKR1C3KMT2ASMN1; SMN2HPGDAHR

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-4075227-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed