SCHEMBL8685463

SCHEMBL8685463

Fc1ccccc1C1CC1NC(=S)Nc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
CDC7 O00311 1/20 0.38
AURKA O14965 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL8685466 1.00 KDM1A (0.41) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6959889 0.77 NPC1 (0.49) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6959884 0.77 NPC1 (0.49) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8687832 0.73 KDM4E (0.41) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8687836 0.73 KDM4E (0.41) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8685471 0.72 KMT2A (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2CDC7
SCHEMBL25154819 0.69 EPHX2 (0.42) KDM1AKMT2ACFD
SCHEMBL6957562 0.69 ALDH1A1 (0.58) KDM1AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6958678 0.69 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6958684 0.69 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed