SCHEMBL8779211

SCHEMBL8779211

NCC(=O)NC(=O)Oc1nc(OCCOc2ccccc2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
RECQL P46063 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL8779244 0.86 LTA4H (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8779132 0.86 ACACB (0.34) ALDH1A1CYP2C19MAPTHSD17B10
SCHEMBL8779023 0.85 KDM4E (0.36) KMT2ASMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL8779296 0.84 MEN1 (0.33) MEN1KMT2AALDH1A1HPGD
SCHEMBL8779424 0.83 MAPK8 (0.37) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8779185 0.83 ACACB (0.37) MEN1KMT2ARAB9ATSHRALDH1A1
SCHEMBL8881461 0.81 MEN1 (0.44) MEN1KMT2ARAB9ATSHRNPC1
SCHEMBL8779178 0.80 PRKD3 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8779309 0.80 L3MBTL1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL8779250 0.79 MEN1 (0.42) MEN1KMT2ARAB9ATSHRNPC1

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
EP-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed