SCHEMBL17487487

SCHEMBL17487487

Nc1ccc2nc(NCc3ccc(Oc4nc5cc(Cl)ccc5o4)cc3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
HIF1A Q16665 1/20 0.39
HPSE Q9Y251 1/20 0.39
TYMS P04818 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL17487684 0.85 RAB9A (0.53) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487479 0.83 RAB9A (0.39) RAB9ASMN1; SMN2TP53CYP1A2CYP2D6
SCHEMBL17487837 0.82 RAB9A (0.48) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL18960452 0.81 NPC1 (0.46) RAB9ASMN1; SMN2MAPTPOLBHDAC1
SCHEMBL17487452 0.79 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487489 0.79 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488221 0.77 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488113 0.77 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487331 0.77 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488111 0.77 RAB9A (0.48) RAB9ASMN1; SMN2TP53GRIN1GRIN2B

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