SCHEMBL1126737

SCHEMBL1126737

Cc1cn(C)c(C(=O)C(=O)Cl)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
GRIA4 P48058 4/20 0.37
GRIA2 P42262 3/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FABP4 P15090 2/20 0.33
RPA1 P27694 1/20 0.33
MCL1 Q07820 1/20 0.33
AR P10275 1/20 0.33
FABP3 P05413 1/20 0.33
TACR1 P25103 2/20 0.33
MYC P01106 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1081579 0.83 GRIA4 (0.47) BRD4GRIA4GRIA2CYP1A2LMNA
SCHEMBL1992572 0.78 GRIA4 (0.40) BRD4GRIA4GRIA2CYP1A2LMNA
SCHEMBL15161901 0.78 BRD4 (0.42) BRD4CYP1A2KMT2ASMN1; SMN2KDM4E
SCHEMBL1748814 0.76 ALDH1A1 (0.51) CYP1A2LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL2637715 0.73 GRIA2 (0.45) GRIA4GRIA2LMNASMN1; SMN2KDM4E
SCHEMBL1127039 0.73 GRIA4 (0.44) GRIA4GRIA2LMNAKMT2ASMN1; SMN2
SCHEMBL2637805 0.72 GRIA4 (0.45) GRIA4GRIA2KMT2ASMN1; SMN2MCL1
SCHEMBL1031912 0.72 PHGDH (0.49) LMNAKDM4E
SCHEMBL1585632 0.70 GRIA4 (0.43) GRIA4GRIA2CYP1A2KMT2ASMN1; SMN2
SCHEMBL1081580 0.70 BRD4 (0.39) BRD4GRIA4GRIA2CYP1A2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
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