SCHEMBL29356115

SCHEMBL29356115

Ic1ccc(N2CCOCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CNR2 P34972 7/20 0.53
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 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
SCHEMBL1928408 1.00 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL18307176 0.93 CNR2 (0.53) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL1432869 0.82 MAPT (0.51) ALDH1A1SMN1; SMN2CYP1A2LMNAMAPT
SCHEMBL1432610 0.81 MAPT (0.53) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL22468415 0.79 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL13356261 0.79 KMT2A (0.57) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL3911609 0.78 CNR2 (0.64) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL353041 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL20074157 0.78 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL18307181 0.78 CNR2 (0.49) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2

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
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed