SCHEMBL4192267

SCHEMBL4192267

N#CCC1C=CN=C(NCCCN2CCOCC2)N1c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.46
USP2 O75604 3/20 0.46
KDM4E B2RXH2 7/20 0.43
GLA P06280 5/20 0.43
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ACP1 P24666 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL4190708 0.95 USP2 (0.48) GAAUSP2KDM4EGLARAB9A
SCHEMBL4197516 0.91 IRAK4 (0.39) GAAUSP2RAB9APOLBNPC1
SCHEMBL4187928 0.86 ILK (0.41) GAAUSP2KDM4ENPSR1LMNA
SCHEMBL4186367 0.84 ILK (0.37) GAAKDM4EGLANPSR1POLB
SCHEMBL4194311 0.84 MKNK1 (0.41) KDM4ERAB9ALMNAKMT2ASMN1; SMN2
SCHEMBL4195581 0.83 USP2 (0.52) GAAUSP2RAB9APOLBNPC1
SCHEMBL4192273 0.82 MAPK9 (0.39) KDM4ERAB9ANPSR1POLBNPC1
SCHEMBL4187924 0.82 RAB9A (0.36) GAAUSP2KDM4ERAB9ANPSR1
SCHEMBL4197304 0.82 ILK (0.40) GAAKDM4EGLARAB9ANPSR1
SCHEMBL6828560 0.82 QPCT (0.54) GAAKDM4EGLAPOLBLMNA

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