SCHEMBL16249708

SCHEMBL16249708

Cc1nc(N(C)C2CCNCC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NMT1 P30419 3/20 0.33
KDM1A O60341 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL27091424 0.76 TXNRD1 (0.41) MAPTALDH1A1NMT1HTTCYP1A2
SCHEMBL16249707 0.76 GPR119 (0.46) MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL8794324 0.71 MAPT (0.40) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL16655039 0.71 MAPT (0.34) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL16653958 0.69 MAPT (0.32) MAPT
SCHEMBL16653959 0.69 MAPT (0.32) MAPT
SCHEMBL1828307 0.69 TDP1 (0.42) MAPTLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1864686 0.68 ALDH1A1 (0.50) MAPTLMNAALDH1A1NPSR1
SCHEMBL16653794 0.68
SCHEMBL16654038 0.68

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
EP-2670749-B1 NEW AZAINDOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889684-B2 Azaindolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed