SCHEMBL3406864

SCHEMBL3406864

CC1(C)c2cc(-c3nnc(-c4cccc(-c5ccccn5)n4)o3)ccc2-c2ccc(-c3nnc(-c4cccc(-c5ccccn5)n4)o3)cc21.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KLF5 Q13887 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GUSB P08236 2/20 0.34
PIM1 P11309 5/20 0.33
PIM3 Q86V86 4/20 0.33
PIM2 Q9P1W9 3/20 0.33
CA1 P00915 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
SCHEMBL21192480 0.83 SMN1; SMN2 (0.47) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL29756564 0.83 GUSB (0.44) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL251077 0.83 GUSB (0.44) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL13488050 0.81 PDK2 (0.40) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL13488086 0.78 PDK2 (0.40) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL13487898 0.77 PDK2 (0.42) ALDH1A1HSD17B10TSHRSMN1; SMN2HPGD
SCHEMBL10353273 0.77 KDM4E (0.46) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2
SCHEMBL27070858 0.76 PDK2 (0.39) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12247010 0.76 KDM4E (0.37) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP2C9
SCHEMBL10353361 0.76 SMN1; SMN2 (0.45) ALDH1A1HSD17B10TSHRSMN1; SMN2CYP1A2

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
WO-2010040777-A1 SILOLES SUBSTITUTED WITH CONDENSED RING SYSTEMS AND USE THEREOF IN ORGANIC ELECTRONICS OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-04-15 WO disclosed