SCHEMBL17488221

SCHEMBL17488221

Nc1ccc2nc(NCc3ccc(Oc4ncc(Cl)cc4Cl)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.48
MAPK1 P28482 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
GFER P55789 2/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
HPSE Q9Y251 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CHEK2 O96017 1/20 0.39
LIPE Q05469 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17487732 0.90 RAB9A (0.45) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17487684 0.86 RAB9A (0.53) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17487452 0.86 RAB9A (0.47) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17488111 0.84 RAB9A (0.48) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17488281 0.82 RAB9A (0.45) SMN1; SMN2RAB9ATP53LMNAGRIN1
SCHEMBL17488110 0.82 RAB9A (0.47) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17488113 0.82 RAB9A (0.44) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17487837 0.82 RAB9A (0.48) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17487489 0.82 RAB9A (0.44) SMN1; SMN2RAB9ATP53LMNACYP2C9
SCHEMBL17488218 0.81 RAB9A (0.46) SMN1; SMN2RAB9ATP53LMNACYP2C9

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed