SCHEMBL7937474

SCHEMBL7937474

OCC(O)CNc1nc(Cl)nc2c(NCC(O)CO)nc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.35
CYP1A2 P05177 2/20 0.33
GLA P06280 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
IDH2 P48735 3/20 0.31
CCNE2 O96020 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
ESR1 P03372 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL20164377 0.81 YTHDC1 (0.41) SLC29A1CYP1A2YTHDC1IDH2CCNE2
SCHEMBL30560025 0.81 YTHDC1 (0.41) SLC29A1CYP1A2YTHDC1IDH2CCNE2
SCHEMBL20164620 0.77 SLC29A1 (0.40) SLC29A1CDK1
SCHEMBL20164352 0.73 HTT (0.40) SLC29A1KDM4E
SCHEMBL20164505 0.71 SLC29A1 (0.41) SLC29A1ESR1
SCHEMBL20164488 0.71 SLC29A1 (0.41) SLC29A1ESR1
SCHEMBL20164537 0.71 SLC29A1 (0.41) SLC29A1ESR1
SCHEMBL1692066 0.69 IDH2 (0.50) ALDH1A1IDH2CCNE2CCNE1CDK2
SCHEMBL20164425 0.68 YTHDC1 (0.38) SLC29A1CDK1YTHDC1
SCHEMBL20164616 0.68 SLC29A1 (0.46) SLC29A1KDM4EALDH1A1IDH2CCNE2

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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed