SCHEMBL5133378

SCHEMBL5133378

Cc1cc2cn[nH]c2cc1N(N)C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
CYP3A4 P08684 3/20 0.46
LMNA P02545 3/20 0.46
NOS1 P29475 2/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 2/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.45
ALPL P05186 1/20 0.44
RORC P51449 4/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
PPARG P37231 3/20 0.40
MAPK1 P28482 2/20 0.40
PPARA Q07869 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL5133380 0.69 L3MBTL1 (0.43) MAPTCYP3A4LMNANOS1POLB
SCHEMBL5133488 0.68 MAPT (0.46) MAPTCYP3A4LMNANOS1POLB
SCHEMBL5396641 0.68 L3MBTL1 (0.69) MAPTCYP3A4LMNAPOLBALOX15
SCHEMBL18147848 0.66 RORC (0.47) MAPTCYP3A4LMNAPOLBHTT
SCHEMBL29394925 0.66 MAPT (1.00) MAPTCYP3A4LMNANOS1POLB
SCHEMBL148826 0.66 NOS1 (1.00) MAPTCYP3A4LMNANOS1POLB
SCHEMBL271522 0.66 MAPT (1.00) MAPTCYP3A4LMNANOS1POLB
SCHEMBL27572716 0.66 MEN1 (0.59) MAPTCYP3A4LMNANOS1POLB
Hydrochloric Acid SCHEMBL31587195 0.65 NOS1 (0.97) MAPTCYP3A4LMNANOS1POLB
Bromide SCHEMBL8520491 0.65 NOS1 (0.97) MAPTCYP3A4LMNANOS1POLB

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-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed