SCHEMBL6567415

SCHEMBL6567415

CCCc1ccc2nc(-c3ccc(-c4nc5ccc(CCC)cc5c(=O)o4)cc3)oc(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.56
HPN P05981 1/20 0.54
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 5/20 0.50
ELANE P08246 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 4/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL6563910 0.88 HPN (0.56) TP53HPNMAPTSMN1; SMN2RAB9A
SCHEMBL692804 0.85 ELANE (0.64) TP53HPNMAPTSMN1; SMN2RAB9A
SCHEMBL692731 0.83 HPN (0.61) TP53HPNMAPTSMN1; SMN2RAB9A
SCHEMBL6563931 0.82 ELANE (0.61) HPNMAPTELANEMEN1KMT2A
SCHEMBL6565596 0.82 HPN (0.56) TP53HPNMAPTSMN1; SMN2RAB9A
SCHEMBL692236 0.79 HPN (0.76) TP53HPNMAPTSMN1; SMN2RAB9A
SCHEMBL6565065 0.79 KDM4E (0.45) TP53HPNALDH1A1ELANEKDM4E
SCHEMBL23680647 0.79 KMT2A (0.65) TP53MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2333007 0.77 RAB9A (0.69) TP53MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6563940 0.76 SMN1; SMN2 (0.74) TP53MAPTSMN1; SMN2RAB9ANPC1

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-0993965-B1 Thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2004-03-31 EP disclosed
US-6440897-B1 BIS-BENZOXAZINONE COMPOUND AS AN ULTRAVIOLET RAY ABSORBING AGENT NIPPON PAPER INDUSTRIES CO LTD (JP) 2002-08-27 US disclosed
EP-0993965-A2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-04-19 EP disclosed