SCHEMBL4453790

SCHEMBL4453790

CCCCCCCc1c(Cl)ncnc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.41
KCNH2 Q12809 4/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36

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
SCHEMBL3322337 0.98 TYMP (0.39) TYMPKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL12495916 0.91 ALDH1A1 (0.39) TYMPALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL14394420 0.87 TYMP (0.36) TYMPKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2233696 0.82 ALDH1A1 (0.41) TYMPALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL15692490 0.78 PTGS2 (0.42) KCNH2ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL28052887 0.77 NOS2 (0.47) TYMPKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL27672334 0.77 NOS2 (0.47) TYMPKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL24113990 0.77 KMT2A (0.43) TYMPKCNH2ALDH1A1HPGDKMT2A
Ammonia Solution, Strong SCHEMBL3461238 0.76 TYMP (0.36) TYMPKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL857518 0.75 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
EP-1635871-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed