SCHEMBL10569845

SCHEMBL10569845

Nc1nc(N)c2nc(-c3ccc(Cc4ccc([N+](=O)[O-])cc4)cc3)c(N)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
JAK2 O60674 1/20 0.53
GMNN O75496 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CTSG P08311 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
SLC6A2 P23975 1/20 0.53
APEX1 P27695 1/20 0.53

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
SCHEMBL11052532 0.92 LMNA (0.61) LMNAGAAKDM4EJAK2GMNN
Hydrochloric Acid SCHEMBL11050094 0.91 LMNA (0.60) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10570535 0.83 MEN1 (0.69) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10567039 0.82 ALDH1A1 (0.75) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10566363 0.81 MTOR (0.60) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10564641 0.81 PIK3CG (0.71) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10566936 0.81 MTOR (0.60) LMNAGAAKDM4EJAK2GMNN
SCHEMBL10483775 0.81 MTOR (0.60) LMNAGAAKDM4EJAK2GMNN
2-Pyrrolidone SCHEMBL11073758 0.79 ALDH1A1 (0.46) LMNAGAAKDM4EJAK2GMNN
Dimethylamine SCHEMBL10566645 0.79 ALDH1A1 (0.69) LMNAGAAKDM4EJAK2GMNN

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-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 US claimed
US-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 US disclosed
EP-0318795-A2 Pharmaceutically active pteridin derivatives Röhm GmbH (DE) 1989-06-07 EP disclosed