SCHEMBL6441333

SCHEMBL6441333

C1=CN(c2ccccc2)C=CN1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
Naphthalene SCHEMBL10950819 0.91 CYP2A6 (0.47) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL7174001 0.84 NOTUM (0.36) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL17598807 0.82 MGLL (0.39) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL16815574 0.80 LMNA (0.34) NOTUMKDM4EHPGDATML3MBTL1
Hydrochloric Acid SCHEMBL30655889 0.80 MGLL (0.37) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL7436462 0.80 NPC1 (0.36) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL8836142 0.80 MAPT (0.35) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL17948242 0.80 NOTUM (0.33) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL10558275 0.80 NOTUM (0.38) NOTUMKDM4EHPGDATML3MBTL1
SCHEMBL11105744 0.80 GSK3A (0.36) NOTUMKDM4EHPGDATML3MBTL1

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
US-6939654-B2 Carrier and developer for developing latent electrostatic images RICOH COMPANY, LTD. (JP) 2005-09-06 US disclosed
US-20040142269-A1 Carrier and developer for developing latent electrostatic images RICOH COMPANY, LTD. (JP) 2004-07-22 US disclosed