SCHEMBL17495178

SCHEMBL17495178

Cc1c(N(C)C)ccc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.33
USP2 O75604 2/20 0.33
BRD4 O60885 2/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 2/20 0.32
RECQL P46063 1/20 0.31
XBP1 P17861 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MPL P40238 1/20 0.31
GAA P10253 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
Hydrochloric Acid SCHEMBL17495148 0.99 LMNA (0.33) LMNAALDH1A1USP2BRD4KMT2A
SCHEMBL17495020 0.86 LMNA (0.43) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL14745528 0.81 MPL (0.40) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL14745898 0.79 MPL (0.40) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL17525612 0.75 PARP1 (0.38) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17896080 0.74 LMNA (0.41) LMNAALDH1A1USP2KMT2AMEN1
SCHEMBL17593321 0.74 MPL (0.42) ALDH1A1KDM4EMPL
SCHEMBL17498218 0.74 BRD4 (0.40) LMNAALDH1A1USP2BRD4KMT2A
SCHEMBL17498176 0.74 BRD4 (0.40) LMNAALDH1A1USP2BRD4KMT2A
SCHEMBL17498171 0.73 BRD4 (0.32) LMNAALDH1A1USP2BRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO claimed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
WO-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed