SCHEMBL4203402

SCHEMBL4203402

COc1ccc(CCOC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GALK1 P51570 1/20 0.40
NPC1 O15118 5/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.38
USP2 O75604 2/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 3/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL7707443 0.91 RAB9A (0.44) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL4201459 0.87 LMNA (0.45) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL4197137 0.86 MEN1 (0.41) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL7710188 0.86 LMNA (0.40) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL6825722 0.85 LMNA (0.40) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5613944 0.84 MAPK8 (0.38) RAB9AMEN1KMT2ALMNAHTT
SCHEMBL4186370 0.84 RAB9A (0.42) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5613884 0.83 HTR1A (0.35) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5613965 0.83 ATP4A (0.35) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5613855 0.82 ALDH1A1 (0.37) RAB9ALMNASMN1; SMN2NPC1KDM4E

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed