SCHEMBL4259590

SCHEMBL4259590

Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2nc3cc(OCC4CC[N+](C(=O)[O-])(C(C)(C)C)CC4)ccc3[nH]2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 6/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 4/20 0.35
MCHR1 Q99705 1/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 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
SCHEMBL214815 0.88 MAPT (0.41) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL215296 0.87 MAPT (0.40) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL213788 0.85 MAPT (0.44) MAPTALDH1A1KMT2AGAAMEN1
SCHEMBL14222346 0.82 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL2735419 0.82 CHEK2 (0.41) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL4105071 0.82 USP2 (0.39) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL10268069 0.81 CHEK2 (0.41) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL2735418 0.80 CHEK2 (0.48) MAPTALDH1A1KMT2AGAAMEN1
SCHEMBL215041 0.80 KMT2A (0.43) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL215789 0.80 KMT2A (0.43) MAPTSMN1; SMN2RAB9AALDH1A1KMT2A

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-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed