Pyrimidine

Pyrimidine

SCHEMBL28041833

C=C(C)C(=O)N1CCNCC1.c1cncnc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CHKA P35790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.32
KHK P50053 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL479371 0.84 CA2 (0.46) SIGMAR1CA2CA12CA1CA9
SCHEMBL7941525 0.75 CA2 (0.38) SIGMAR1CA2CA12CA1CA9
Pyridine SCHEMBL28121616 0.73 SIGMAR1 (0.44) MKNK1MKNK2SIGMAR1CA2CA12
SCHEMBL21196009 0.70 P2RX7 (0.40) MKNK1MKNK2SIGMAR1ALDH1A1POLB
SCHEMBL269621 0.70 TDP1 (0.42) ALDH1A1POLBKMT2A
SCHEMBL236549 0.70
Pyrimidine SCHEMBL29085947 0.68 PLD1 (0.40) MKNK1MKNK2SIGMAR1ALDH1A1CHRNB2
SCHEMBL6985542 0.68 CA2 (0.50) SIGMAR1CA2CA12CA1CA9
Pyridine SCHEMBL27559875 0.68 SIGMAR1 (0.47) MKNK1MKNK2SIGMAR1CA2CA12
SCHEMBL28905737 0.68 SIGMAR1 (0.47) MKNK1MKNK2SIGMAR1CHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037623-A Preparation method of displacement polymer concentrated water solution for large-size oilfields SHANGHAI JUXIN CHEMICAL CO LTD 2015-11-11 CN claimed
CN-105056908-A Biological purification carrier for wastewater treatment and preparation thereof SHAO SUYING 2015-11-18 CN disclosed
CN-105036355-A Biological purification carrier for wastewater treatment SHAO SUYING 2015-11-11 CN disclosed
CN-105037623-A Preparation method of displacement polymer concentrated water solution for large-size oilfields SHANGHAI JUXIN CHEMICAL CO LTD 2015-11-11 CN disclosed