SCHEMBL5148448

SCHEMBL5148448

O=C(Oc1ncc[nH]1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SENP1 Q9P0U3 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
ESR1 P03372 5/20 0.40
ESR2 Q92731 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5323575 0.85 LMNA (0.45) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL15234294 0.80 KDM4E (0.41) ALDH1A1KDM4EESR1ESR2KMT2A
SCHEMBL727155 0.75 NPC1 (0.43) ALDH1A1KDM4EKMT2ANPC1RAB9A
Water SCHEMBL11231296 0.75 CSNK1A1 (0.44) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL24485 0.74 HPGD (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL384128 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL7766524 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL667770 0.72
Hydrochloric Acid SCHEMBL2493637 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL9063985 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ANPC1RAB9A

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-7265182-B2 Forms a formable gel which is useful for forming shaped articles that are useful for electronics applications E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-04 US disclosed
US-20060020081-A1 Forms a formable gel which is useful for forming shaped articles that are useful for electronics applications E. I. DU PONT DE NEMOURS AND COMPANY 2006-01-26 US disclosed
WO-2006010067-A1 POLYAMIC ACID CROSS-LINKED POLYMERS AND FORMABLE COMPOSITIONS MADE THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 WO disclosed