SCHEMBL1127185

SCHEMBL1127185

COCCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3nccc(C)c3C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
MAPT P10636 7/20 0.36
ALDH1A1 P00352 4/20 0.36
USP2 O75604 3/20 0.36
NPY2R P49146 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAPK1 P28482 1/20 0.35
ESR2 Q92731 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SLC1A2 P43004 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.34
NR4A1 P22736 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
SCHEMBL1126527 0.92 MAPT (0.37) MAPTALDH1A1USP2HSD17B10POLB
SCHEMBL1126932 0.90 MAPT (0.38) MALT1MAPTALDH1A1USP2HSD17B10
SCHEMBL1127445 0.88 TRPV1 (0.39) MALT1MAPTALDH1A1USP2HSD17B10
SCHEMBL1126898 0.86 TRPV1 (0.41) MALT1MAPTALDH1A1HSD17B10POLB
SCHEMBL1127265 0.86 KDR (0.37) MALT1MAPTALDH1A1USP2HSD17B10
SCHEMBL1127332 0.85 MCHR1 (0.39) MALT1MAPTALDH1A1HSD17B10POLB
SCHEMBL1127076 0.84 TRPV1 (0.38) MALT1MAPTALDH1A1USP2NPY2R
SCHEMBL1127448 0.83 ALDH1A1 (0.39) MALT1MAPTALDH1A1USP2NPY2R
SCHEMBL1993703 0.83 LMNA (0.37) MALT1MAPTALDH1A1USP2NPY2R
SCHEMBL1991279 0.82 DRD4 (0.39) MAPTALDH1A1NPY2RHSD17B10POLB

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 claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed