SCHEMBL13409393

SCHEMBL13409393

CCOc1cc(C(C)C)c2cccc(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL13409388 0.84 L3MBTL1 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAGABRA1
SCHEMBL13409387 0.83 LMNA (0.35) ALDH1A1LMNAGABRA1GABRG2GABRB3
SCHEMBL13409394 0.83 NR4A2 (0.42) SMN1; SMN2ALDH1A1LMNANPC1MAPK1
SCHEMBL13409396 0.82 KDM4E (0.43) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL13409386 0.81 POLB (0.36) MAPTSMN1; SMN2ALDH1A1LMNAGABRA1
SCHEMBL13409391 0.80 ADORA3 (0.34) SMN1; SMN2ALDH1A1LMNAGABRA1GABRG2
SCHEMBL13409395 0.78 BCL2L1 (0.36) MAPTSMN1; SMN2ALDH1A1LMNAADORA2A
SCHEMBL13409389 0.76 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL13409390 0.74 SOAT1 (0.34) SMN1; SMN2ALDH1A1BCL2L1BCL2MCL1
SCHEMBL13409406 0.73 MEN1 (0.38) MAPTSMN1; SMN2ALDH1A1LMNANPC1

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-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed