SCHEMBL7709121

SCHEMBL7709121

COc1ccc(-c2cc(N)n3nc(-c4ccno4)nc3c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
PIK3CG P48736 1/20 0.39
TSHR P16473 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 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
SCHEMBL7708891 0.87 KDM4E (0.49) SMN1; SMN2MEN1TP53KMT2ANPC1
SCHEMBL7708864 0.84 TDO2 (0.41) SMN1; SMN2MEN1TP53NFKB1NFKB2
SCHEMBL7709236 0.83 ALDH1A1 (0.48) SMN1; SMN2MEN1TP53NFKB1NFKB2
SCHEMBL7492811 0.83 ADORA2A (0.52) CSNK1DSMN1; SMN2TSHRPPARGNCOA2
SCHEMBL7478262 0.83 ADORA2A (0.56) SMN1; SMN2MEN1TP53NFKB1MAPK1
SCHEMBL7709024 0.82 NPC1 (0.41) SMN1; SMN2MEN1TP53NFKB1NFKB2
SCHEMBL7711697 0.82 ADORA2A (0.35) SMN1; SMN2MEN1TP53KMT2ANPC1
SCHEMBL7708813 0.81 NPC1 (0.37) MEN1TP53KMT2ANPC1MAPT
SCHEMBL7708391 0.80 ADORA2A (0.45) SMN1; SMN2MEN1NFKB1NFKB2KMT2A
SCHEMBL7708828 0.80 RAB9A (0.51) SMN1; SMN2MEN1TP53NFKB1NFKB2

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