SCHEMBL10377751

SCHEMBL10377751

CCOC(=O)C1=C(C)N=C(c2ccccc2)NC1c1ccccc1OCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 3/20 0.48
TP53 P04637 3/20 0.48
APAF1 O14727 1/20 0.47
IDE P14735 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
ATM Q13315 1/20 0.42
DHFR P00374 1/20 0.42
THRB P10828 1/20 0.42

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
Hydrochloric Acid SCHEMBL10377333 0.99 KMT2A (0.51) KMT2AMEN1ALDH1A1TP53APAF1
SCHEMBL10375343 0.88 KMT2A (0.52) KMT2AMEN1ALDH1A1TP53APAF1
SCHEMBL10753172 0.88 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1APAF1IDE
Hydrochloric Acid SCHEMBL10375298 0.87 KMT2A (0.52) KMT2AMEN1ALDH1A1TP53APAF1
SCHEMBL10375250 0.87 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1TP53L3MBTL1
SCHEMBL10756376 0.85 CACNA1D (0.46) KMT2AMEN1ALDH1A1APAF1IDE
SCHEMBL10377730 0.83 DHFR (0.59) KMT2AMEN1ALDH1A1HTTPOLB
Hydrochloric Acid SCHEMBL10377356 0.80 POLB (0.42) KMT2AMEN1ALDH1A1TP53NPSR1
Hydrochloric Acid SCHEMBL10377365 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1TP53HTT
SCHEMBL5340104 0.75 KMT2A (0.86) KMT2AMEN1ALDH1A1TP53HTT

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed