SCHEMBL1901150

SCHEMBL1901150

Cc1ccc(-c2c(N)cc(-c3ccccc3)c(-c3ccc(C)cc3)c2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HPRT1 P00492 1/20 0.41
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
PPARG P37231 1/20 0.40
MCL1 Q07820 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 6/20 0.39

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
SCHEMBL29596767 0.89 HSD17B10 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL904510 0.89 HSD17B10 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8573252 0.80 ADORA2A (0.42) ADORA2AADORA1MEN1KMT2ANPC1
SCHEMBL6836070 0.77 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22326302 0.77 ALDH1A1 (0.44) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL14733303 0.76 HSD17B10 (0.52) ADORA2AADORA1MEN1KMT2ANPC1
SCHEMBL14733306 0.76 HSD17B10 (0.52) ADORA2AADORA1MEN1KMT2ANPC1
Ammonia Solution, Strong SCHEMBL2406827 0.76 MEN1 (0.47) ADORA2AADORA1MEN1KMT2ANPC1
SCHEMBL6154651 0.76 ADORA2A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21280056 0.75 HSD17B10 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B

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
WO-2011055932-A9 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-09-01 WO disclosed
WO-2011055932-A2 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-05-12 WO disclosed