SCHEMBL30402995

SCHEMBL30402995

COc1ccc(COc2ccc3oc(Cl)nc3c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CSF1R P07333 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MBOAT4 Q96T53 1/20 0.36
MAPT P10636 2/20 0.36
CETP P11597 1/20 0.36
CYP3A4 P08684 1/20 0.36
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
APP P05067 1/20 0.35
TERT O14746 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL17544423 1.00 MEN1 (0.38) MEN1KMT2ACSF1RPDE3BPDE3A
SCHEMBL29000623 0.85 CSF1R (0.42) CSF1RPDE3BPDE3ASMN1; SMN2NPC1
SCHEMBL29681201 0.83 HSD17B10 (0.46) SMN1; SMN2NPC1RAB9AMAPTAPP
SCHEMBL17544365 0.83 HSD17B10 (0.46) SMN1; SMN2NPC1RAB9AMAPTAPP
SCHEMBL1121632 0.81 ALDH1A1 (0.46) MEN1KMT2APDE3BPDE3ASMN1; SMN2
SCHEMBL30401743 0.80 HSD17B10 (0.44) SMN1; SMN2NPC1RAB9AMAPTCETP
SCHEMBL17544189 0.80 HSD17B10 (0.44) SMN1; SMN2NPC1RAB9AMAPTCETP
SCHEMBL30401735 0.80 HSD17B10 (0.58) SMN1; SMN2NPC1RAB9AMAPTPDE10A
SCHEMBL17544499 0.80 HSD17B10 (0.58) SMN1; SMN2NPC1RAB9AMAPTPDE10A
SCHEMBL17544360 0.80 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AMAPTCETP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN disclosed