SCHEMBL5326536

SCHEMBL5326536

COc1ccc(F)cc1-c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
SLC9A1 P19634 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 2/20 0.39
S1PR1 P21453 1/20 0.38
LRRK2 Q5S007 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL336434 0.83 APP (0.47) CA12CA1CA2CA4CA7
SCHEMBL5321804 0.82 HDAC4 (0.48) SYKCA12CA1CA2CA7
SCHEMBL11513962 0.81 ALDH1A1 (0.40) ALDH1A1PTGS1KDM4EMAPTHSD17B10
SCHEMBL5329513 0.81 ALDH1A1 (0.44) ERN1SLC9A1SMN1; SMN2MEN1ALDH1A1
SCHEMBL6618767 0.79 FPR2 (0.34) ERN1CA12CA1CA2CA4
SCHEMBL6054816 0.78 HTR7 (0.43) CA2SMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL5326722 0.78 NISCH (0.38) SLC9A1LRRK2MEN1HPGDKMT2A
SCHEMBL5325455 0.78 PTPN1 (0.40) SLC9A1S1PR1CA9CA14MEN1
SCHEMBL13729257 0.77 CREBBP (0.41) ERN1SLC9A1JAK2JAK3S1PR1
SCHEMBL5327699 0.77 AR (0.47) LRRK2STK10SLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed