SCHEMBL11477883

SCHEMBL11477883

O=C(O)c1nc2sc3c(c2c(=O)[nH]1)CCCC3.[Na].[Na]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 3/20 0.67
HPGD P15428 3/20 0.67
GAA P10253 2/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CYP1A2 P05177 1/20 0.62
HIF1A Q16665 1/20 0.62
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
MCL1 Q07820 1/20 0.59
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL4383240 0.99 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAATSHR
Water SCHEMBL11479741 0.97 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8189548 0.97 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8202037 0.97 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8190292 0.96 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL11480898 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL11477865 0.85 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8189486 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8198822 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL13155648 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGAATSHR

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