SCHEMBL6652098

SCHEMBL6652098

CN(C)c1ccc(N=Nc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
ALOX15 P16050 2/20 0.53
NSD2 O96028 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL7787563 1.00 TSHR (0.59) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL163992 0.94 TSHR (0.58) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL1405467 0.82 ALDH1A1 (0.81) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL3217829 0.82 ALDH1A1 (0.81) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL333218 0.82 CYP3A4 (0.61) TSHRALDH1A1MAPK1TDP1NPC1
SCHEMBL333217 0.82 CYP3A4 (0.61) TSHRALDH1A1MAPK1TDP1NPC1
SCHEMBL3217840 0.82 ALDH1A1 (0.81) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL1405466 0.82 ALDH1A1 (0.81) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL3217836 0.82 ALDH1A1 (0.81) TSHRALDH1A1MAPK1HSD17B10TDP1
SCHEMBL9185385 0.81 TSHR (0.50) TSHRALDH1A1MAPK1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787330-B1 USING POLYACRYLAMIDE GEL ELECTROPHORESIS (PAGE); PROTEOMICS; BLOT ANALYSIS UNIVERSITY OF GENEVA (CH) 2004-09-07 US disclosed
EP-1147414-B1 METHOD AND KIT FOR IDENTIFYING OR CHARACTERISING POLYPEPTIDES UNIV GENEVE (CH) 2004-06-09 EP disclosed