SCHEMBL3661464

SCHEMBL3661464

Nn1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 6/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RORC P51449 2/20 0.44
PTGER1 P34995 1/20 0.42
MAPK1 P28482 2/20 0.41
ADORA2A P29274 1/20 0.40
NUDT1 P36639 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
RARG P13631 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1788116 0.77 ALDH1A1 (0.57) KMT2AKDM4ETSHRALDH1A1HPGD
SCHEMBL28176203 0.76 HSD17B10 (0.51) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL27973180 0.76 HSD17B10 (0.56) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL822675 0.76 L3MBTL1 (0.56) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL5487133 0.74 PDE5A (0.54) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL4858983 0.74 CCNA2 (0.42) HSD17B10KMT2AALDH1A1PTGER1ADORA2A
SCHEMBL11888546 0.73 PTGER1 (0.54) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL628648 0.72 KDM4E (0.42) HSD17B10KMT2AKDM4EALDH1A1HPGD
SCHEMBL13019677 0.72 KMT2A (0.49) HSD17B10KMT2AKDM4ETSHRALDH1A1
SCHEMBL17322911 0.72 HSD17B10 (0.64) HSD17B10KMT2AKDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227464-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE Imperial Innovations Limited (GB) 2010-09-15 EP disclosed
WO-2009071906-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE IMPERIAL INNOVATIONS LIMITED (GB) 2009-06-11 WO disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed