SCHEMBL20344816

SCHEMBL20344816

CCc1c(C)cn2cc(-c3cccc(-c4ccc(F)c(F)c4F)c3)nc2c1-c1ccc2c(c1)CCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
WDR5 P61964 1/20 0.32
FABP4 P15090 3/20 0.32
FABP3 P05413 1/20 0.32
EED O75530 5/20 0.32
RBBP4 Q09028 5/20 0.32
SUZ12 Q15022 5/20 0.32
EZH2 Q15910 5/20 0.32
AEBP2 Q6ZN18 5/20 0.32
GNRHR P30968 1/20 0.32
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
MAP3K5 Q99683 1/20 0.31
RIPK1 Q13546 1/20 0.31
KLF5 Q13887 1/20 0.31
CLK1 P49759 1/20 0.31

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
SCHEMBL20344808 0.91 GNRHR (0.35) APPBACE1WDR5FABP4FABP3
SCHEMBL17039306 0.89 FABP4 (0.35) FABP4FABP3EEDRBBP4SUZ12
SCHEMBL17039278 0.81 FABP4 (0.41) FABP4FABP3GNRHR
SCHEMBL17029056 0.81 NR1I2 (0.42) FABP4
SCHEMBL17029028 0.81 NR1I2 (0.42) FABP4
SCHEMBL20344817 0.80 NR1I2 (0.36) FABP4FABP3
SCHEMBL18364988 0.80 NR1I2 (0.36) FABP4FABP3
SCHEMBL17039255 0.76 CLK1 (0.40) FABP4FABP3RAB9AKDM4ENPC1
SCHEMBL20344789 0.72 NR1I2 (0.37) KDM4EMAPTALDH1A1
SCHEMBL17029048 0.72 NR1I2 (0.44) FABP4

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
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed