SCHEMBL27332292

SCHEMBL27332292

Nc1ncccc1C(=O)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
PRKCI P41743 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
IDO1 P14902 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTPRA P18433 1/20 0.41
POLB P06746 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL15942043 0.85 RAB9A (0.54) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL17985011 0.80 KDM4E (0.60) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL3452522 0.79 RAB9A (0.62) RAB9ANPC1KDM4EMAPTIDO1
Iodide SCHEMBL6263376 0.79 KDM4E (0.59) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL7981204 0.79 CTNNB1 (0.60) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL3452459 0.79 RAB9A (0.62) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL11623530 0.76 RAB9A (0.51) RAB9ANPC1KDM4EMAPTIDO1
SCHEMBL13545172 0.76 NAPRT (0.61) NAPRTRAB9ANPC1PRKCIKDM4E
SCHEMBL11134348 0.76 NAPRT (0.61) NAPRTPRKCIKDM4EMAPTSMN1; SMN2
SCHEMBL28116938 0.76 NAPRT (0.61) NAPRTPRKCIKDM4EMAPTSMN1; SMN2

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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN disclosed