SCHEMBL8778184

SCHEMBL8778184

CCC[S+]([O-])c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNE1 P15382 1/20 0.34
KDM4E B2RXH2 5/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11639333 0.89 CYP2D6 (0.39) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL5712290 0.87 LMNA (0.39) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL7531002 0.84 KDM4E (0.36) KCNA5KCNH2CYP2D6CYP1A2CYP19A1
SCHEMBL4685181 0.81 HDAC8 (0.35) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL4685183 0.81 LMNA (0.33) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL8778187 0.81 KDM4E (0.33) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL10972097 0.79 TDP1 (0.34) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL4681960 0.78 HDAC8 (0.33) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL4681963 0.78 SMN1; SMN2 (0.32) CYP1A2KDM4ELMNAPOLBCCR1
SCHEMBL19385924 0.77 FABP1 (0.39) KCNH2CYP1A2KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
EP-0651743-A1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-05-10 EP disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed