SCHEMBL4185618

SCHEMBL4185618

N#CCC1C=CN=C(NCCc2ccccc2F)N1c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL4192264 0.88 LMNA (0.40) KMT2AMEN1LTA4HEPHX2ALDH1A1
SCHEMBL4192472 0.87 NPC1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4192274 0.85 NPC1 (0.31) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4194901 0.85 LTA4H (0.38) KMT2AMEN1LTA4HEPHX2ALDH1A1
SCHEMBL4187924 0.85 RAB9A (0.36) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4192273 0.85 MAPK9 (0.39) ALDH1A1MAPTSMN1; SMN2MAPK1RAB9A
SCHEMBL4190281 0.84 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL4190183 0.84 MAPT (0.40) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4193399 0.84 CYP1A2 (0.34) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL7704544 0.84 ILK (0.41) KMT2AMEN1ALDH1A1MAPTRAB9A

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 6 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
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed