SCHEMBL8835183

SCHEMBL8835183

CN1OC1(C(=O)Oc1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAOB P27338 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMO Q99835 5/20 0.41
MAPK14 Q16539 4/20 0.41

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
SCHEMBL8559981 0.88 PARP10 (0.39) PARP10ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8557960 0.84 GRM5 (0.41) ALDH1A1KDM4ENPC1MAPK1RAB9A
SCHEMBL8557729 0.83 PDE10A (0.43) SMN1; SMN2KDM4ENPC1RAB9ACYP2C9
SCHEMBL8560309 0.83 KCNH2 (0.39) ALDH1A1KDM4ENPC1MAPK1RAB9A
SCHEMBL8834199 0.82 GPBAR1 (0.55) ALOX5ALOX5AP
SCHEMBL8559028 0.77 PDE10A (0.45) NPC1RAB9AALOX5ALOX5APKCNH2
SCHEMBL8559969 0.75 PPARD (0.49) SMN1; SMN2KDM4ENPC1MAPK1RAB9A
SCHEMBL25433706 0.72 PARP10 (0.53) PARP10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL25381933 0.70 PARP10 (0.57) PARP10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2089763 0.70 PARP10 (0.73) PARP10ALDH1A1SMN1; SMN2KDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668146-A ANTIINFLAMMATORY AGENTS OR ANTIALLERGENS ABBOTT LABORATORIES (US) 1997-09-16 US claimed
US-5668146-A ANTIINFLAMMATORY AGENTS OR ANTIALLERGENS ABBOTT LABORATORIES (US) 1997-09-16 US disclosed