SCHEMBL9755445

SCHEMBL9755445

N=C(Nc1ccc2ccc3cccnc3c2n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
HSP90AA1 P07900 2/20 0.47
CYP2D6 P10635 2/20 0.47
HIF1A Q16665 2/20 0.47
GMNN O75496 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
MMP9 P14780 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL9755469 0.82 KDR (0.65) HTTTDP1KDRNPC1RAB9A
SCHEMBL9755462 0.81 MDM2 (0.46) SMN1; SMN2KDM4ELMNAHTTTP53
SCHEMBL28476553 0.76 NPC1 (0.66) SMN1; SMN2MAPTNFKB1MTORNPC1
SCHEMBL10788485 0.74 CYP1A2 (0.61) SMN1; SMN2KDM4ETP53MAPTCYP3A4
SCHEMBL28353091 0.73 LMNA (0.67) SMN1; SMN2KDM4ELMNAHTTTP53
SCHEMBL15673368 0.72 CCR1 (0.64) SMN1; SMN2KDM4ELMNAHTTTP53
SCHEMBL9755467 0.71 L3MBTL1 (0.69) SMN1; SMN2TP53MAPTTDP1KDR
Phenanthroline SCHEMBL28130373 0.71 CCR1 (0.94) SMN1; SMN2KDM4ELMNAHTTTP53
SCHEMBL24733628 0.70 RAB9A (0.63) SMN1; SMN2KDM4ELMNAHTTTP53
SCHEMBL4891113 0.70 TP53 (0.69) SMN1; SMN2KDM4ELMNAHTTTP53

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-1991005785-A1 1,10-PHENANTHROLINE DERIVATIVES VERENIGING VOOR CHRISTELIJK WETENSCHAPPELIJK ONDERWIJS (NL) 1991-05-02 WO disclosed