SCHEMBL7765849

SCHEMBL7765849

Cc1cccc2[nH]c(-c3ccc(N4CCCN(C)CC4)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.54
GAA P10253 6/20 0.54
SI P14410 6/20 0.54
MGAM2 Q2M2H8 6/20 0.54
AURKA O14965 2/20 0.52
TNKS O95271 1/20 0.51
PARP1 P09874 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
KCNH2 Q12809 3/20 0.50
AURKB Q96GD4 1/20 0.48
HPSE Q9Y251 1/20 0.48
DGAT1 O75907 1/20 0.47
SOAT1 P35610 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL7822007 0.95 MGAM (0.59) MGAMGAASIMGAM2AURKA
SCHEMBL7759238 0.85 MGAM (0.51) MGAMGAASIMGAM2AURKA
SCHEMBL7763616 0.85 ACHE (0.64) MGAMGAASIMGAM2AURKA
SCHEMBL7820409 0.84 AURKA (0.67) MGAMGAASIMGAM2AURKA
SCHEMBL3577220 0.83 AURKA (0.71) AURKAPARP1AURKB
SCHEMBL7762915 0.82 MGAM (0.55) MGAMGAASIMGAM2AURKA
SCHEMBL7761994 0.82 CYP1A2 (0.52) MGAMGAASIMGAM2AURKA
SCHEMBL7763627 0.81 GAA (0.51) MGAMGAASIMGAM2AURKA
SCHEMBL6584337 0.80 AURKB (0.53) AURKAPARP1KCNH2AURKBHPSE
SCHEMBL7764169 0.80 MGAM (0.52) MGAMGAASIMGAM2AURKA

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