SCHEMBL4194844

SCHEMBL4194844

N#CCC1C=CN=C(N2CCC(OCc3ccccc3)CC2)N1c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SCD O00767 1/20 0.37
PDE10A Q9Y233 2/20 0.36
DPP4 P27487 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NAAA Q02083 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
OPRD1 P41143 1/20 0.33

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
SCHEMBL4197930 0.88 RAB9A (0.40) RAB9ANPC1MEN1KMT2APDE10A
SCHEMBL4195517 0.86 DPP4 (0.40) RAB9ANPC1MEN1KMT2APDE10A
SCHEMBL4199975 0.85 NPC1 (0.40) RAB9ANPC1MEN1KMT2ADPP4
SCHEMBL6828236 0.83 MEN1 (0.39) RAB9ANPC1MEN1KMT2APDE10A
SCHEMBL4197211 0.83 SCN4A (0.38) RAB9ANPC1MEN1KMT2ADPP4
SCHEMBL4197998 0.83 NPC1 (0.53) RAB9ANPC1MEN1KMT2APDE10A
SCHEMBL4198007 0.83 RAB9A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4199997 0.81 HTR1A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4190547 0.80 MAPK9 (0.39) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6017501 0.80 ALDH1A1 (0.37) RAB9ANPC1MEN1KMT2ASCD

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
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed