SCHEMBL7816013

SCHEMBL7816013

N#Cc1cc(-c2cccc([N+](=O)[O-])c2)ccc1N.N#Cc1cc(-c2ccsc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
PKM P14618 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
PGR P06401 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL6440266 0.89 LMNA (0.52) MYCWDR5MGAMGAASI
SCHEMBL6797025 0.83 TSHR (0.53) MGAMGAASIPKMMGAM2
SCHEMBL6436943 0.83 KCNH2 (0.62) KCNH2ADORA1PRKACAPRKACGPRKACB
SCHEMBL6776150 0.79 LMNA (0.50) MYCWDR5MGAMGAASI
SCHEMBL5077502 0.74 ALDH1A1 (0.43) MYCWDR5MGAMGAASI
Dinitrophenylene SCHEMBL27864502 0.73 TSHR (0.57) GAALMNATSHRALDH1A1MAPT
SCHEMBL689735 0.73 VCAM1 (0.66) GAALMNATSHRALDH1A1MAPT
SCHEMBL6771411 0.72 KCNH2 (0.62) KCNH2ALDH1A1MAPTADORA1
Nitrogen SCHEMBL28796067 0.71 VCAM1 (0.64) GAALMNATSHRALDH1A1MAPT
SCHEMBL7276378 0.70 LMNA (0.52) GAALMNATSHRALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123274-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-08-16 EP disclosed
WO-2000024707-A1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-05-04 WO disclosed