SCHEMBL17895948

SCHEMBL17895948

CCn1c2c(c3ccccc31)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL17896016 0.88 KDM4E (0.41) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL17896029 0.88 CHRM2 (0.46) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL17896020 0.87 CHRM2 (0.53) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17896015 0.87 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL17895862 0.87 KMT2A (0.40) KDM4ERAB9AALDH1A1HPGDHTT
SCHEMBL17895999 0.86 HDAC1 (0.43) KDM4ERAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL17896038 0.86 CHRM2 (0.52) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17895993 0.85 HDAC1 (0.43) KDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL17895987 0.83 CHRM2 (0.42) KDM4EALDH1A1
SCHEMBL17896006 0.80 LMNA (0.38) KDM4ERAB9AALDH1A1HPGDPOLB

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
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
Send feedback