SCHEMBL2231397

SCHEMBL2231397

CC(C)Cc1ccc2c(c1)ncc1ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP3A4 P08684 1/20 0.34
NR4A2 P43354 1/20 0.34
GCK P35557 1/20 0.34
SYK P43405 3/20 0.33
ACACB O00763 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
ABCB11 O95342 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL2229954 0.80 KDM4E (0.41) KDM4EMAPTCYP3A4NR4A2SYK
SCHEMBL2229343 0.80 ADRB2 (0.44) KDM4EMAPTCYP3A4NR4A2SYK
SCHEMBL2230186 0.79 MAOA (0.41) KDM4EMAPTRAB9ACYP3A4NR4A2
SCHEMBL19251597 0.78 OGA (0.39) KDM4EMAPK1GCK
SCHEMBL26664503 0.78 GABRA1 (0.47) KDM4EMAPK1DHODHGABRA1GABRB2
SCHEMBL13034790 0.78 ALDH1A1 (0.53) MAPK1RAB9AGABRA1GABRB2CYP3A4
SCHEMBL1006427 0.77 TLR7 (0.43) DHODHHTR2AHTR2CHTR2BPARP14
SCHEMBL13369864 0.77 KDM4E (0.42) KDM4EMAPTRAB9ACYP3A4
SCHEMBL23420994 0.75 NR4A2 (0.51) KDM4EMAPK1GABRA1GABRB2NR4A2
SCHEMBL113636 0.74 ALDH1A1 (0.53) KDM4EMAPTRAB9AACACB

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-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed