SCHEMBL13461982

SCHEMBL13461982

N#Cc1ccc(N=O)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.36
SOS2 Q07890 1/20 0.33
TKT P29401 1/20 0.32
NQO1 P15559 1/20 0.32
CDC7 O00311 1/20 0.31
CTSB P07858 2/20 0.30
SRC P12931 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 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
SCHEMBL3915592 0.73 EGLN2 (0.41) EGLN2SOS2TKTNQO1CDC7
SCHEMBL3164701 0.73 MEN1 (0.52) MEN1USP2LMNACYP1A2CYP3A4
SCHEMBL21921718 0.71 ALDH1A1 (0.46) EGLN2SOS2TKTNQO1CDC7
SCHEMBL29882642 0.69 HTT (0.42) EGLN2SOS2TKTNQO1CDC7
SCHEMBL3047995 0.69 KDM4E (0.42) EGLN2SOS2TKTNQO1CDC7
SCHEMBL16914426 0.69 HTT (0.42) EGLN2SOS2TKTNQO1CDC7
SCHEMBL24024725 0.69 MEN1 (0.32) MEN1USP2LMNACYP1A2CYP3A4
SCHEMBL21969607 0.69 MEN1 (0.42) MEN1USP2LMNACYP1A2CYP3A4
SCHEMBL13222949 0.69 MAPT (0.38) MEN1USP2LMNACYP1A2CYP3A4
SCHEMBL3917265 0.67 CTSB (0.55) CTSBMEN1LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed