SCHEMBL30165796

SCHEMBL30165796

O=c1oc2cc(F)ccc2cc1-c1nc2cc(Cl)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 5/20 0.51
TP53 P04637 3/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
SENP8 Q96LD8 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL20917468 1.00 KDM4E (0.51) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22371428 0.83 KDM4E (0.74) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29462441 0.83 KDM4E (0.74) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22371457 0.82 MAPT (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL25997345 0.82 AGPAT2 (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11210328 0.82 MAPT (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL4495071 0.82 KDM4E (0.49) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2389126 0.82 MAPT (0.64) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31388377 0.82 MAPT (0.64) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20786805 0.79 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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
CN-112654681-B Exocyclic amine substituted coumarin compound and application thereof as fluorescent marker 伊卢米纳剑桥有限公司 2023-01-06 CN disclosed