SCHEMBL19474376

SCHEMBL19474376

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-n9c%10ccccc%10c%10c%11oc%12ccccc%12c%11ccc%109)n8)cc7)c6)c5)cc4)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
ALOX5 P09917 1/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PLA2G10 O15496 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
DRD4 P21917 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL19997868 0.99 TSHR (0.35) TSHRPLA2G2APLA2G4AALOX5MAPT
SCHEMBL21365553 0.98 TSHR (0.36) TSHRPLA2G2APLA2G4AALOX5MAPT
SCHEMBL15625585 0.96 TSHR (0.38) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL16160432 0.96 TSHR (0.38) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL21365552 0.96 TSHR (0.38) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL31896 0.93 TSHR (0.40) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL27324314 0.92 PLA2G2A (0.35) TSHRPLA2G2APLA2G4AMAPTALDH1A1
SCHEMBL16811067 0.92 ALOX5 (0.37) TSHRPLA2G2APLA2G4AALOX5MAPT
SCHEMBL24218132 0.92 TSHR (0.35) TSHRPLA2G2APLA2G4AALOX5MAPT
SCHEMBL21365545 0.92 TSHR (0.35) TSHRPLA2G2APLA2G4AALOX5MAPT

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-2866273-B1 Organic electrolumiescent materials and devices UNIVERSAL DISPLAY CORP (US) 2017-10-18 EP disclosed