SCHEMBL4595427

SCHEMBL4595427

Cc1nc2c3c(c(C(=O)N4CCCCC4)cn2c1C)CCC1(CCc2ccccc21)O3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AVPR1A P37288 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE11A Q9HCR9 1/20 0.33
REN P00797 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 2/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL4596912 0.99 LMNA (0.35) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL4574346 0.97 HTT (0.34) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL4575118 0.89 HCRTR1 (0.30) SPRCNR1
SCHEMBL4574395 0.88 HCAR2 (0.35) ALDH1A1
SCHEMBL4597065 0.88 HCRTR1 (0.33) LMNASMN1; SMN2HPGD
SCHEMBL4573882 0.84 SMN1; SMN2 (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4738064 0.77 AVPR1A (0.34) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL4574534 0.77 CYP3A4 (0.31)
SCHEMBL4574391 0.76 MEN1 (0.30) MEN1KMT2A
SCHEMBL14068675 0.74 ACACB (0.36) LMNATSHRNPSR1AVPR1AHTT

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
WO-2008071766-A2 SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2008-06-19 WO disclosed