SCHEMBL5332652

SCHEMBL5332652

CN(C)c1cc2nc3ccccc3nc2c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
KDM1A O60341 3/20 0.46
NQO2 P16083 5/20 0.43
ACP1 P24666 2/20 0.43
TOP2A P11388 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 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
SCHEMBL14328966 0.77 MYC (0.61) MYCMAXNQO2KDM4EALDH1A1
SCHEMBL31391239 0.75 MYC (0.63) MYCMAXNQO2KDM4EALDH1A1
SCHEMBL179750 0.74 TOP2A (0.45) MYCMAXKDM1ANQO2ACP1
SCHEMBL3281012 0.74 CHEK1 (0.47) ACP1KDM4EALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL3396268 0.74 ACP1 (0.38) MYCMAXKDM1AACP1TOP2A
SCHEMBL29737179 0.73 MYC (1.00) MYCMAXNQO2ALDH1A1POLB
SCHEMBL14328958 0.73 MYC (1.00) MYCMAXNQO2ALDH1A1POLB
SCHEMBL10786544 0.73 MYC (0.56) MYCMAXKDM1ANQO2KDM4E
SCHEMBL28661274 0.72 MAPT (0.52) KDM1ANQO2KDM4EALDH1A1POLB
SCHEMBL6790532 0.72 CYP1A2 (0.60) KDM1AACP1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702172-A1 METHOD FOR DETERMINING CLINICALLY RELEVANT HYPOXIA IN CANCER Overgaard, Jens (DK) 2014-03-05 EP disclosed
WO-2012146259-A1 METHOD FOR DETERMINING CLINICALLY RELEVANT HYPOXIA IN CANCER OVERGAARD JENS (DK) 2012-11-01 WO disclosed
WO-2007041340-A2 MICROFLUIDIC CELLS WITH PARALLEL ARRAYS OF INDIVIDUAL DNA MOLECULES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-04-12 WO disclosed