SCHEMBL9740328

SCHEMBL9740328

CCCCCCCOCC(CO)OCn1c(Br)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 10/20 0.60
HPRT1 P00492 8/20 0.55
BLM P54132 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
PDE3A Q14432 1/20 0.43
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
EDNRA P25101 1/20 0.38
HTR2A P28223 1/20 0.38
RECQL P46063 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9740448 1.00 PNP (0.60) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741212 1.00 PNP (0.60) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741949 0.99 PNP (0.61) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741386 0.90 PNP (0.58) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741665 0.90 PNP (0.58) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741381 0.90 PNP (0.58) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741529 0.89 PNP (0.59) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9741391 0.89 PNP (0.57) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL9742977 0.89 PNP (0.62) PNPHPRT1BLMMEN1ALDH1A1
SCHEMBL10737386 0.85 PNP (0.70) PNPHPRT1BLMMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098906-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1992-03-24 US disclosed
US-4918219-A Glycerine derivatives WARNER-LAMBERT COMPANY (US) 1990-04-17 US disclosed
US-4806642-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1989-02-21 US disclosed
EP-0145207-B1 PURINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-01-25 EP disclosed
EP-0145207-A1 Purine derivatives WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed