SCHEMBL1126885

SCHEMBL1126885

Cn1cccc1C(=O)C(=O)Nc1cc(N(C(=O)C(=O)c2cccn2C)c2cccc(C(F)(F)F)c2)ccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 7/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.42
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 3/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1127017 0.76 RAB9A (0.64) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1126679 0.75 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL11864683 0.65 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL1126857 0.65 KMT2A (0.64) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL11732492 0.64 GAA (0.55) RAB9AMEN1KMT2ACYP1A2NPC1
SCHEMBL1126867 0.64 RAB9A (0.62) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1126474 0.62 MEN1 (1.00) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1126366 0.61 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL28655154 0.61 CES2 (0.39) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL28740075 0.61 P4HB (0.59) MEN1KMT2AMAPTPKMGAA

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