SCHEMBL12072037

SCHEMBL12072037

COc1cc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(N(C)C)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAC1 P63000 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GLA P06280 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
SCHEMBL16510758 0.94 KDM4E (0.45) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL12072698 0.91 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL14927007 0.87 MEN1 (0.43) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL12070673 0.85 RAC1 (0.49) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL14927009 0.80 MEN1 (0.42) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL13757363 0.76 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL147237 0.76 RAC1 (0.68) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL12070517 0.76 USP2 (0.44) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL14926972 0.74 ESR1 (0.39) SMN1; SMN2LMNAHPGDKDM4EMAPT
SCHEMBL16510396 0.74 RAC1 (0.43) SMN1; SMN2LMNAHPGDKDM4EMAPT

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
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
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