SCHEMBL4701327

SCHEMBL4701327

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(F)cc1[N+](=O)[O-])CNC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
KCNMA1 Q12791 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 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
Hydrochloric Acid SCHEMBL4425813 0.99 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4284883 0.89 KDM4E (0.45) MAPTLMNASMN1; SMN2KDM4EMEN1
SCHEMBL4286497 0.88 MAPT (0.38) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL4424639 0.88 ALDH1A1 (0.48) MAPTLMNAALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4286492 0.88 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1206304 0.88 ALDH1A1 (0.40) MAPTLMNAALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL4424633 0.87 ALDH1A1 (0.48) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL1371503 0.86 SIRT6 (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4278090 0.85 MAPT (0.41) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1371499 0.85 SIRT6 (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed