SCHEMBL9846281

SCHEMBL9846281

CCCCc1ccccc1Nc1nc2cc(NCc3ccccc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
GFER P55789 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 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
SCHEMBL9846284 0.92 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9368175 0.86 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9372311 0.83 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9368578 0.80 RAB9A (0.57) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9368486 0.80 RAB9A (0.49) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9368581 0.79 RAB9A (0.57) SMN1; SMN2RAB9ATP53LMNAHTT
Hydrochloric Acid SCHEMBL9368907 0.79 RAB9A (0.56) SMN1; SMN2RAB9ATP53LMNAHTT
Hydrochloric Acid SCHEMBL9373370 0.78 RAB9A (0.56) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9368188 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ATP53LMNAHTT
SCHEMBL9372321 0.74 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ATP53LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419210-A1 Novel benzimidazole compounds and their use PFIZER INC. (US) 1991-03-27 EP claimed