SCHEMBL4530577

SCHEMBL4530577

O=C(NCCc1ccccc1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.68
HPGD P15428 10/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
KDM4E B2RXH2 17/20 0.68
HSD17B10 Q99714 6/20 0.68
CASP1 P29466 4/20 0.68
CASP7 P55210 4/20 0.68
MAPT P10636 4/20 0.68
TP53 P04637 1/20 0.58
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
ALOX15 P16050 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 2/20 0.49

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
SCHEMBL31351814 0.88 KDM4E (0.71) ALDH1A1HPGDSMN1; SMN2TAAR1KDM4E
SCHEMBL31351800 0.84 KDM4E (0.76) ALDH1A1HPGDKDM4EHSD17B10CASP1
SCHEMBL1718368 0.82 ALDH1A1 (0.69) ALDH1A1HPGDSMN1; SMN2TAAR1KDM4E
SCHEMBL14039102 0.81 KDM4E (0.61) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL31351798 0.81 KDM4E (0.68) ALDH1A1HPGDKDM4EHSD17B10CASP1
SCHEMBL4204381 0.80 KDM4E (0.69) ALDH1A1HPGDSMN1; SMN2TAAR1KDM4E
SCHEMBL31351828 0.80 KDM4E (0.73) ALDH1A1HPGDKDM4EHSD17B10CASP1
SCHEMBL4211090 0.79 KDM4E (1.00) ALDH1A1HPGDSMN1; SMN2TAAR1KDM4E
SCHEMBL31351806 0.77 KDM4E (0.77) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL31351804 0.77 KDM4E (0.77) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10

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-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO disclosed