SCHEMBL1127265

SCHEMBL1127265

CCOCn1c(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
KDR P35968 2/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
MALT1 Q9UDY8 1/20 0.36
USP2 O75604 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL1127445 0.91 TRPV1 (0.39) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1126932 0.90 MAPT (0.38) KDRMAPTALDH1A1HSD17B10POLB
SCHEMBL1126527 0.88 MAPT (0.37) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1127448 0.88 ALDH1A1 (0.39) KDRMAPTALDH1A1HSD17B10POLB
SCHEMBL1127185 0.86 MALT1 (0.37) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1126898 0.86 TRPV1 (0.41) KDRMAPTALDH1A1HSD17B10POLB
SCHEMBL1127332 0.86 MCHR1 (0.39) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1127076 0.85 TRPV1 (0.38) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1126636 0.82 GRIN2D (0.38) MAPTALDH1A1HSD17B10POLBGAA
SCHEMBL1127209 0.80 ALDH1A1 (0.40) KDRMAPTALDH1A1GAATSHR

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