SCHEMBL2147607

SCHEMBL2147607

C=CCn1c(-c2ccccn2)nc2ccccc21.[Ti]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HPGD P15428 4/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.58
CTSD P07339 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HSD17B10 Q99714 3/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.54
GUSB P08236 2/20 0.52
LMNA P02545 1/20 0.51
HTR3A P46098 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL13182215 0.84 CTSD (0.62) KDM4EALDH1A1HPGDCTSDL3MBTL1
SCHEMBL29411979 0.80 ALDH1A1 (0.66) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL28381278 0.80 CTSD (0.60) KDM4EALDH1A1HPGDSMN1; SMN2CTSD
SCHEMBL230485 0.80 ALDH1A1 (0.66) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL13351524 0.80 ALDH1A1 (0.66) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL23552408 0.78 KDM4E (0.81) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL6844740 0.78 KDM4E (0.67) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL2610093 0.77 L3MBTL1 (0.71) KDM4EALDH1A1HPGDCTSDL3MBTL1
SCHEMBL27862769 0.76 KDM4E (0.54) KDM4ENPSR1ALDH1A1HPGDMAPT
SCHEMBL29412135 0.76 L3MBTL1 (0.70) KDM4EALDH1A1HPGDMAPTSMN1; SMN2

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-2011088990-A1 ETHYLENE POLYMERISATION SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2011-07-28 WO disclosed