SCHEMBL1126575

SCHEMBL1126575

Cc1cc(C)nc(N(C)CCOc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)c(C)cn3C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DGAT1 O75907 3/20 0.35
KCNA5 P22460 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL1126845 0.86 HCRTR1 (0.41) MEN1KMT2AALDH1A1NPC1DGAT1
SCHEMBL1988542 0.85 RIPK2 (0.38) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1645861 0.84 ALDH1A1 (0.35) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1646663 0.82 LMNA (0.42) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1646520 0.82 SMN1; SMN2 (0.50) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1990441 0.82 DGAT1 (0.38) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1645695 0.81 LMNA (0.42) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1646317 0.81 LMNA (0.41) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1647758 0.81 LMNA (0.39) MCHR1MEN1KMT2AALDH1A1NPC1
SCHEMBL1646759 0.80 LMNA (0.40) MCHR1MEN1KMT2AALDH1A1NPC1

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