SCHEMBL10735488

SCHEMBL10735488

[O-][S+](c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL10732978 0.92 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10742027 0.90 PTGS2 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10733299 0.83 KMT2A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10733297 0.74 GPR84 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL3865315 0.72 L3MBTL1 (0.71) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL5622616 0.72 SMN1; SMN2 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6817343 0.70 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5354612 0.70 KMT2A (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7390217 0.70 HDAC1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL28018754 0.70 KMT2A (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR

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-4654360-A 1,2,3-trisubstituted indoles for treatment of inflammation SYNTEX (U.S.A.) INC. (US) 1987-03-31 US disclosed