SCHEMBL17899347

SCHEMBL17899347

c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)nc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.51
DHODH Q02127 2/20 0.50
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2A6 P11509 1/20 0.46
ACACA Q13085 4/20 0.43
TGFBR1 P36897 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL16696472 1.00 TOP1 (0.51) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL16696473 0.98 TOP1 (0.50) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL13458751 0.94 TOP1 (0.51) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL19768563 0.93 TOP1 (0.49) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL16696500 0.93 TOP1 (0.49) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL16696483 0.92 CYP1A1 (0.49) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL13458835 0.90 CCR1 (0.46) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL16696477 0.90 CYP1A1 (0.48) TOP1DHODHMAPK1TSHRHSD17B10
SCHEMBL13458919 0.90 CCR1 (0.49) TOP1MAPK1TSHRHSD17B10CYP2A6
SCHEMBL13458696 0.90 TOP1 (0.50) TOP1DHODHMAPK1TSHRHSD17B10

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed