SCHEMBL13475582

SCHEMBL13475582

O=C(c1ccccn1)c1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 1.00
▸ CNR2 P34972 7/20 0.62
▸ ALDH1A1 P00352 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MGAM O43451 1/20 0.58
▸ KMT2A Q03164 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ HSD17B14 Q9BPX1 1/20 0.49

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
SCHEMBL1343443 0.87 CNR2 (0.78) KDM4ECNR2ALDH1A1NFKB1RAB9A
SCHEMBL6115219 0.81 KDM4E (0.68) KDM4EALDH1A1RAB9ANPC1TSHR
SCHEMBL31369148 0.81 KMT2A (0.75) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL87791 0.81 KMT2A (0.75) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL21834524 0.79 KDM4E (0.66) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL22501398 0.79 KDM4E (0.66) KDM4ECNR2ALDH1A1NFKB1RAB9A
SCHEMBL31369119 0.79 KMT2A (0.72) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
Charcoal, Activated SCHEMBL8358164 0.79 KMT2A (0.72) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
Water SCHEMBL6228901 0.79 KMT2A (0.72) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27723543 0.79 KMT2A (0.72) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1

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
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 — — US disclosed
US-20100033086-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 — — US disclosed
EP-2123691-A1 POLYMER COMPOUND AND COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-11-25 — — EP disclosed
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