SCHEMBL8320909

SCHEMBL8320909

N=C(Nc1cccc2ccccc12)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
GAA P10253 3/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL7410467 0.91 SIGMAR1 (0.56) KDM4EGAARAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL7417157 0.89 SIGMAR1 (0.55) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL6724190 0.83 SIGMAR1 (0.62) KDM4EGAARAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL7415149 0.82 SIGMAR1 (0.60) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL9547527 0.81 KDM4E (0.59) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL6719528 0.80 SIGMAR1 (0.58) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL1273874 0.79 KDM4E (0.64) KDM4EGAARAB9ANPC1CYP1A2
Hydrochloric Acid SCHEMBL7412583 0.79 SIGMAR1 (0.57) KDM4EGAANPC1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9438292 0.77 KDM4E (0.62) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL9115127 0.76 SIGMAR1 (0.49) KDM4EGAARAB9ANPC1CYP1A2

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-5882833-A COLORS AND AROMATIC SULFONIC ACID SALTS ZENECA LIMITED (GB) 1999-03-16 US disclosed
EP-0789685-A1 GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS ZENECA LIMITED (GB) 1997-08-20 EP disclosed
WO-1996014294-A1 GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS ZENECA LIMITED (GB) 1996-05-17 WO disclosed