SCHEMBL7450545

SCHEMBL7450545

COc1c(-c2ccccn2)ccc2s[c]nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.39
SMN1; SMN2 Q16637 7/20 0.36
NPC1 O15118 5/20 0.36
TP53 P04637 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
HPGD P15428 3/20 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
SCHEMBL7449763 0.85 CLK4 (0.33)
SCHEMBL7446653 0.83 RECQL (0.35) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL9837227 0.77 KDM4E (0.41) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL7144266 0.76 SMN1; SMN2 (0.41) PTK2SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7446479 0.74 MAPT (0.35) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL20172587 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL559439 0.71
SCHEMBL558324 0.71 ALDH1A1 (0.36) NPC1TP53RAB9AALDH1A1MAPT
SCHEMBL6054234 0.71 MTOR (0.40) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL31660760 0.70 JAK2 (0.42) PTK2SMN1; SMN2NPC1TP53RAB9A

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-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed