SCHEMBL30065640

SCHEMBL30065640

Cc1ccc(Oc2cnccn2)c2c1OCC21CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.32
NAAA Q02083 1/20 0.31
PLAU P00749 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL30065642 1.00 KMT2A (0.41) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL21857860 0.82 KEAP1 (0.30)
SCHEMBL22064233 0.82 KEAP1 (0.35)
SCHEMBL31157944 0.82 KEAP1 (0.35)
SCHEMBL16200786 0.81 KEAP1 (0.36) KDM4EPTGS2ALDH1A1
SCHEMBL30794314 0.81 KEAP1 (0.50) KMT2AMEN1KDM4ERAB9AALDH1A1
SCHEMBL9904591 0.81 KEAP1 (0.50) KMT2AMEN1KDM4ERAB9AALDH1A1
SCHEMBL16200788 0.79 CYP1A2 (0.32)
SCHEMBL9904936 0.78 KEAP1 (0.32)
SCHEMBL25027899 0.77 PIK3CA (0.38)

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-4100402-A1 KV3 MODULATORS Autifony Therapeutics Limited (GB) 2022-12-14 EP disclosed