SCHEMBL31024591

SCHEMBL31024591

COC[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RORC P51449 3/20 0.48
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
ACACB O00763 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HTR2C P28335 2/20 0.43

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
SCHEMBL16212149 1.00 KDM1A (0.54) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16211989 0.89 KDM1A (0.53) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16211878 0.87 KDM1A (0.56) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16211816 0.87 KDM1A (0.56) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL17637718 0.87 KDM1A (0.56) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL19361025 0.87 KDM1A (0.56) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL34473717 0.86 KDM1A (0.55) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7514411 0.85 KDM1A (0.54) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29308992 0.84 KDM1A (0.61) KDM1AMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7514544 0.84 KDM1A (0.53) KDM1AMEN1KMT2ANPSR1SMN1; 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
WO-2024173514-A1 AMIDE AND ESTER-SUBSTITUTED IMIDAZOPYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. (US) 2024-08-22 WO disclosed