SCHEMBL9112601

SCHEMBL9112601

Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.68
SMN1; SMN2 Q16637 12/20 0.56
KDM4E B2RXH2 10/20 0.56
MAPT P10636 10/20 0.56
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
ALDH1A1 P00352 10/20 0.56
HPGD P15428 8/20 0.56
PKM P14618 4/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
STAT1 P42224 1/20 0.55
KMT2A Q03164 8/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 7/20 0.51
POLB P06746 5/20 0.51
GAA P10253 4/20 0.51
USP2 O75604 4/20 0.51
TP53 P04637 3/20 0.51

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
SCHEMBL8148043 0.85 NPC1 (0.75) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7653231 0.83 SMN1; SMN2 (0.56) PRMT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7652952 0.83 SMN1; SMN2 (0.56) PRMT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7652960 0.83 KDM4E (0.61) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL8174405 0.83 KDM4E (0.61) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL9113986 0.81 PRMT1 (0.56) PRMT1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL21011385 0.79 NPC1 (0.70) PRMT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7652411 0.78 MMP13 (0.73) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL2361964 0.78 ALDH1A1 (0.52) PRMT1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7652407 0.78 MMP13 (0.56) PRMT1SMN1; SMN2KDM4EMAPTNPC1

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-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed