SCHEMBL7140128

SCHEMBL7140128

CCN(CC)CCCNc1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
NSD2 O96028 1/20 0.43
MAPT P10636 1/20 0.43
FLT3 P36888 7/20 0.43
ALDH1A1 P00352 2/20 0.42
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5736369 0.85 LMNA (0.43) ACHENPC1RAB9AFLT3ALDH1A1
SCHEMBL5493605 0.82 LMNA (0.43) ACHERAB9AMAPTALDH1A1ALDH3A1
SCHEMBL5543098 0.81 ABL1 (0.45) ACHERAB9AALDH1A1ALDH3A1ALDH1A3
SCHEMBL2532889 0.80 ACHE (0.43) BCHEACHERAB9AFLT3ALDH1A1
SCHEMBL5538917 0.79 ABL1 (0.47) BCHEACHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL11275854 0.79 ABL1 (0.47) BCHEACHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL2272514 0.79 MEN1 (0.53) BCHEACHENPC1RAB9AAPAF1
SCHEMBL5853542 0.79 ABL1 (0.47) BCHEACHEALDH1A1ALDH3A1ALDH1A3
SCHEMBL2447178 0.79 ACHE (0.47) BCHEACHENPC1RAB9AAPAF1
SCHEMBL11074896 0.79 ABL1 (0.47) BCHEACHEALDH1A1ALDH3A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509365-B1 2-phenylbenzimidazoles and 2-phenylindoles, and production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed