SCHEMBL9706282

SCHEMBL9706282

NCCn1c2ccccc2c2nc3ccccc3nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.72
MAPT P10636 6/20 0.72
CASP1 P29466 5/20 0.72
CASP7 P55210 5/20 0.72
POLB P06746 4/20 0.72
USP2 O75604 4/20 0.72
MAPK1 P28482 4/20 0.72
TDP1 Q9NUW8 4/20 0.72
LMNA P02545 2/20 0.72
ALOX15 P16050 2/20 0.72
HSD17B10 Q99714 5/20 0.67
KMT2A Q03164 5/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 4/20 0.67
NPC1 O15118 3/20 0.67
HCRTR1 O43613 1/20 0.67
TP53 P04637 1/20 0.67
RAB9A P51151 2/20 0.63

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
Hydrochloric Acid SCHEMBL9436868 0.98 TSHR (0.70) TSHRMAPTCASP1CASP7POLB
SCHEMBL9706178 0.91 TSHR (0.68) TSHRMAPTCASP1CASP7POLB
Hydrochloric Acid SCHEMBL9436870 0.89 TSHR (0.67) TSHRMAPTCASP1CASP7POLB
SCHEMBL5530202 0.84 TSHR (1.00) TSHRMAPTCASP1CASP7POLB
SCHEMBL15289657 0.84 TSHR (0.72) TSHRMAPTCASP1CASP7POLB
SCHEMBL13165175 0.83 TSHR (0.70) TSHRMAPTCASP1CASP7POLB
SCHEMBL5527836 0.81 TSHR (0.83) TSHRMAPTCASP1CASP7POLB
SCHEMBL9706276 0.80 POLB (0.75) TSHRMAPTCASP1CASP7POLB
SCHEMBL5524713 0.80 MAPT (1.00) TSHRMAPTCASP1CASP7POLB
SCHEMBL13888981 0.78 POLB (0.78) TSHRMAPTCASP1CASP7POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 EP disclosed
US-4990510-A Viricides, anticancer agents LEIF LUNDBLAD (BE) 1991-02-05 US disclosed
EP-0238459-A1 Substituted indoloquinoxalines Lundblad, Leif (SE) 1987-09-23 EP disclosed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed
WO-1987004437-A1 INDOLOQUINOXALINES WITH SUBSTITUENTS IN 6-POSITION CONTAINING CYCLIC GROUPS LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed