SCHEMBL11480397

SCHEMBL11480397

O=c1[nH]c(-c2nnn[nH]2)nc2sc3c(c12)CCCC3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.58
▸ RNASEL Q05823 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CDKN1A P38936 2/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL11489575 0.75 ALDH1A1 (0.54) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL11489588 0.74 HIF1A (0.65) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL1368915 0.74 ALDH1A1 (0.71) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL1368527 0.74 HIF1A (1.00) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL13005006 0.73 BRD4 (0.78) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL14385544 0.73 BRD4 (1.00) BRD4RNASELALDH1A1HPGDKDM4E
SCHEMBL17950456 0.73 ALDH1A1 (1.00) CYP1A2HIF1AALDH1A1HPGDHTT
SCHEMBL13056437 0.71 BRD4 (0.73) BRD4RNASELALDH1A1HPGDKDM4E
SCHEMBL4383240 0.70 ALDH1A1 (0.69) BRD4RNASELCYP1A2HIF1AALDH1A1
SCHEMBL3924265 0.70 HIF1A (0.63) BRD4RNASELCYP1A2HIF1AALDH1A1

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-4234581-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1980-11-18 — — US disclosed
US-4159377-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1979-06-26 — — US disclosed
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 — — US disclosed
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