SCHEMBL3160394

SCHEMBL3160394

Cc1cc(C)n(-c2cccc([C]=O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KAT6A Q92794 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALPG P10696 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL18622981 0.84 KDM4E (0.53) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL15362173 0.81 MAPT (0.57) MAPTALDH1A1L3MBTL1LMNAHPGD
SCHEMBL18055499 0.78 MAPT (0.64) MAPTALDH1A1L3MBTL1LMNAGAA
SCHEMBL8338087 0.78 ALDH1A1 (0.69) MAPTALDH1A1L3MBTL1LMNAGAA
SCHEMBL28099592 0.77 MPO (0.47) MAPTALDH1A1L3MBTL1KAT6ALMNA
SCHEMBL27500740 0.76 ALDH1A1 (0.43) MAPTALDH1A1HTTKDM4E
SCHEMBL964125 0.75 MAPK1 (0.66) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL2616605 0.75 KDM4E (0.50) MAPTALDH1A1L3MBTL1KAT6AGAA
SCHEMBL1075204 0.75 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL11969682 0.75 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed