SCHEMBL1127700

SCHEMBL1127700

COCCc1c[nH]c(C(=O)C(=O)Cl)c1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.36
HPGD P15428 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AHR P35869 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
GLA P06280 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
SCHEMBL1127138 0.77 PYGL (0.34) ALDH1A1LMNARAB9AMAPTHSD17B10
SCHEMBL1126976 0.68 JAK3 (0.33)
SCHEMBL1127699 0.64 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDRAB9A
SCHEMBL1126618 0.62 EGFR (0.40) HPGD
SCHEMBL1126973 0.62 FFAR1 (0.40) KDM4EALDH1A1HSD17B10CASP7
SCHEMBL1126683 0.61 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDRAB9A
SCHEMBL1127376 0.60 LMNA (0.40) ALDH1A1LMNAHPGDRAB9AGAA
SCHEMBL5747483 0.57
SCHEMBL7812159 0.56 KCNH2 (0.40) KDM4EALDH1A1LMNAHPGDRAB9A
SCHEMBL11147060 0.56 ATAD2 (0.44)

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed