SCHEMBL7705606

SCHEMBL7705606

Nc1cc(NCc2ccccc2)cc2nc(-c3ccccc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.55
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
F2 P00734 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PI4KB Q9UBF8 1/20 0.41
KMT2A Q03164 3/20 0.40

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
SCHEMBL7703034 0.90 CSNK1D (0.53) CSNK1DMAPTPOLBKMT2AMEN1
SCHEMBL7708668 0.90 PDE5A (0.49) CSNK1DMAPTTP53
SCHEMBL7708909 0.85 ADORA2A (0.52) CSNK1DNPC1F2L3MBTL1KMT2A
SCHEMBL7711803 0.84 F2 (0.47) CSNK1DMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6873157 0.78 HPGDS (0.51) CSNK1DALDH1A1HPGDTSHRHSD17B10
SCHEMBL7423524 0.76 ALDH1A1 (0.53) CSNK1DMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL7709009 0.75 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL7705858 0.75 MAPT (0.46) CSNK1DMAPTALDH1A1NPC1RAB9A
SCHEMBL7708996 0.74 ADORA3 (0.51) CSNK1DMAPTALDH1A1POLBKMT2A
SCHEMBL7434291 0.74 ALDH1A1 (0.57) CSNK1DMAPTSMN1; SMN2ALDH1A1HTT

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
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed