SCHEMBL6157042

SCHEMBL6157042

CSc1cc(C(=O)O)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.50
TSHR P16473 3/20 0.41
ALOX15 P16050 3/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AB1 P08238 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.34
GPR35 Q9HC97 2/20 0.34
HCAR2 Q8TDS4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DAO P14920 1/20 0.32

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
SCHEMBL28340647 0.80 TSHR (0.54) HIF1ATSHRALOX15CYP1A2TDP1
SCHEMBL31255020 0.78 KMO (0.45) HIF1ATSHRALOX15CYP1A2CYP2C9
SCHEMBL2718066 0.75 GAA (0.47) HIF1ATSHRALOX15CYP1A2HSP90AB1
SCHEMBL6474291 0.74 TSHR (0.48) HIF1ATSHRALOX15CYP1A2TDP1
SCHEMBL6301920 0.72 HIF1A (0.46) HIF1ATSHRALOX15CYP1A2CYP2C19
SCHEMBL763785 0.71 HRH4 (0.37) HSP90AB1MAPT
SCHEMBL14465135 0.70 NQO2 (0.43) HIF1ATSHRALOX15TDP1LMNA
SCHEMBL6829600 0.70 HSP90AB1 (0.49) TSHRCYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL19330398 0.70 ALOX15 (0.48) HIF1ATSHRALOX15CYP1A2CYP2C9
SCHEMBL7824301 0.69 KMO (0.46) MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504257-A1 DIAGNOSTIC TEST FOR ELEMENTAL IMBALANCES Future Data Inc. (US) 2005-02-09 EP claimed
US-6821786-B2 HOME/SELF-DIAGNOSIS; MICROTRACINGS FUTURE DATA INC. 2004-11-23 US claimed
WO-2003091725-A1 DIAGNOSTIC TEST FOR ELEMENTAL IMBALANCES FUTURE DATA INC. (US) 2003-11-06 WO claimed
US-20030203495-A1 Diagnostic test for elemental imbalances FUTURE DATA INC. 2003-10-30 US claimed
US-6821786-B2 HOME/SELF-DIAGNOSIS; MICROTRACINGS FUTURE DATA INC. 2004-11-23 US disclosed