SCHEMBL17488111

SCHEMBL17488111

Nc1ccc2nc(NCc3ccc(Oc4ccc(Cl)nc4)cc3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HPSE Q9Y251 1/20 0.46
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
HIF1A Q16665 1/20 0.43
CHEK2 O96017 1/20 0.42
HDAC6 Q9UBN7 2/20 0.39
POLB P06746 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL17487952 0.92 RAB9A (0.41) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487684 0.88 RAB9A (0.53) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488110 0.88 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487452 0.84 RAB9A (0.47) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488221 0.84 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488281 0.82 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487732 0.82 RAB9A (0.45) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487354 0.82 RAB9A (0.57) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17488113 0.82 RAB9A (0.44) RAB9ASMN1; SMN2TP53GRIN1GRIN2B
SCHEMBL17487489 0.81 RAB9A (0.44) 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