SCHEMBL8708792

SCHEMBL8708792

C[C](c1ccc2ccccc2c1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 6/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
KDR P35968 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 2/20 0.42
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42
PAX8 Q06710 1/20 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
SCHEMBL3162890 0.79 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7266631 0.79 KMT2A (0.62) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3816367 0.77 KMT2A (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL1921316 0.77 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3870748 0.76 RAB9A (0.61) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7362770 0.76 CES2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL9669231 0.72 NPC1 (0.43) SMN1; SMN2NPC1RAB9AKDM4ECES2
SCHEMBL15618059 0.72 TDP1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5162864 0.71 ALDH1A1 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL397225 0.71 CES2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP claimed
CN-1051299-C Tetrahydrophthamide derivative medium for preparation of same, preparation of same and herbcide which uses same as effective composition SAGAMI CHEM RES (JP) 2000-04-12 CN disclosed
CN-1084847-A Tetrahydrochysene butyl benzene orthobenzol diacid amide derivative and its preparation intermediate and manufacture method thereof and with its weedicide as effective constituent SAGAMI CHEM RES (JP) 1994-04-06 CN disclosed