SCHEMBL9368586

SCHEMBL9368586

CCCNc1nc2ccc(NCc3ccccc3)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
GFER P55789 1/20 0.63
HIF1A Q16665 1/20 0.63
TP53 P04637 2/20 0.62
RIPK1 Q13546 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
BCHE P06276 2/20 0.51
TRPC3 Q13507 1/20 0.51
TRPC4 Q9UBN4 1/20 0.51
TRPC5 Q9UL62 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.47
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46

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
Hydrochloric Acid SCHEMBL9373375 0.99 RAB9A (0.62) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9368581 0.90 RAB9A (0.57) RAB9ASMN1; SMN2LMNAHTTGFER
Hydrochloric Acid SCHEMBL9373370 0.89 RAB9A (0.56) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9368584 0.83 RAB9A (0.60) RAB9ASMN1; SMN2LMNAHTTGFER
Hydrochloric Acid SCHEMBL9368917 0.82 RAB9A (0.59) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9368188 0.82 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9372321 0.80 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9846284 0.79 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL18058955 0.78 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL8464091 0.76 BCHE (0.82) RAB9ASMN1; SMN2LMNATP53RIPK1

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 6 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
US-5141950-A Enzyme inhibitors; treating asthma; antiarthritic agent PFIZER INC. (US) 1992-08-25 US 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