SCHEMBL9988541

SCHEMBL9988541

O=c1c2ccccc2nnn1O.Oc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTBP1 P26599 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 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
SCHEMBL29350840 0.86 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2954 0.86 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4884291 0.84 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL30546913 0.71 POLB (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1186657 0.71 POLB (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29419423 0.69
SCHEMBL18660488 0.69
SCHEMBL2355 0.69
SCHEMBL8978433 0.69 KDM4E (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7619385 0.68 KDM4E (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed