SCHEMBL9368486

SCHEMBL9368486

c1ccc(CNc2ccc3[nH]c(Nc4cccc5ccccc45)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
HIF1A Q16665 1/20 0.44
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL9372311 0.85 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9368578 0.84 RAB9A (0.57) RAB9ASMN1; SMN2TP53LMNAHTT
Hydrochloric Acid SCHEMBL9368907 0.83 RAB9A (0.56) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9846281 0.80 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9717917 0.77 RAB9A (0.52) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9368581 0.76 RAB9A (0.57) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9372321 0.76 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9368175 0.76 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2TP53LMNAHTT
Hydrochloric Acid SCHEMBL9373370 0.75 RAB9A (0.56) RAB9ASMN1; SMN2TP53LMNAHTT
SCHEMBL9368584 0.74 RAB9A (0.60) RAB9ASMN1; SMN2TP53LMNAHTT

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-0419210-B1 Novel benzimidazole compounds and their use PFIZER (US) 1994-11-02 EP claimed
EP-0419210-A1 Novel benzimidazole compounds and their use PFIZER INC. (US) 1991-03-27 EP claimed
EP-0419210-B1 Novel benzimidazole compounds and their use PFIZER (US) 1994-11-02 EP disclosed
US-5141950-A Enzyme inhibitors; treating asthma; antiarthritic agent PFIZER INC. (US) 1992-08-25 US disclosed
EP-0419210-A1 Novel benzimidazole compounds and their use PFIZER INC. (US) 1991-03-27 EP disclosed