SCHEMBL7762879

SCHEMBL7762879

Cc1cccc2[nH]c(-c3ccc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.51
MGAM O43451 8/20 0.51
SI P14410 8/20 0.51
MGAM2 Q2M2H8 8/20 0.51
ACHE P22303 1/20 0.47
HPSE Q9Y251 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AURKA O14965 2/20 0.44
AURKB Q96GD4 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MCOLN2 Q8IZK6 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL7762915 0.86 MGAM (0.55) GAAMGAMSIMGAM2ACHE
SCHEMBL7822007 0.83 MGAM (0.59) GAAMGAMSIMGAM2ACHE
SCHEMBL7759238 0.83 MGAM (0.51) GAAMGAMSIMGAM2ACHE
SCHEMBL3582297 0.83 AURKB (0.64) AURKAAURKB
SCHEMBL6581301 0.80 AURKB (0.47) HPSEAURKAAURKB
SCHEMBL7765849 0.79 MGAM (0.54) GAAMGAMSIMGAM2ACHE
SCHEMBL7761994 0.77 CYP1A2 (0.52) GAAMGAMSIMGAM2ACHE
SCHEMBL7764169 0.77 MGAM (0.52) GAAMGAMSIMGAM2ACHE
SCHEMBL7763627 0.76 GAA (0.51) GAAMGAMSIMGAM2ACHE
SCHEMBL7763616 0.76 ACHE (0.64) GAAMGAMSIMGAM2ACHE

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
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
EP-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed