SCHEMBL1126824

SCHEMBL1126824

Cc1cn(C)c(C(=O)C(=O)Nc2cccc3c(F)cccc23)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TACR1 P25103 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FABP4 P15090 2/20 0.34
FABP3 P05413 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM4 Q14833 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
SCHEMBL1126693 0.82 MEN1 (0.49) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL1126783 0.79 RAB9A (0.42) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL1126781 0.71 TSHR (0.38) RAB9AMEN1KMT2AHPGDTSHR
SCHEMBL1126737 0.70 BRD4 (0.38) KMT2ATACR1MAPTKDM4EFABP4
SCHEMBL1081579 0.70 GRIA4 (0.47) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL1126595 0.68 RAB9A (0.48) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1127139 0.68 MAPT (0.48) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL1127158 0.67 FAAH (0.42) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL1127303 0.66 CHRNB2 (0.50) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL3190678 0.65 RXFP1 (0.54) RAB9ANPC1MEN1KMT2AHPGD

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