SCHEMBL9621683

SCHEMBL9621683

CCN(CC)C(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ RAB9A P51151 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17778780 0.81 XDH (0.42) RAB9ATSHRHSD17B10LMNASMN1; SMN2
SCHEMBL28965190 0.79 XDH (0.40) RAB9ATSHRHSD17B10LMNASMN1; SMN2
SCHEMBL9621685 0.79 SMN1; SMN2 (0.55) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL536914 0.79 BRAF (0.47) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL13632472 0.78 ABL1 (0.40) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL14704317 0.77 TP53 (0.46) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL5437606 0.77 MKNK1 (0.38) RAB9ASMN1; SMN2NPC1XDHBRD4
SCHEMBL22118770 0.77 BRD4 (0.40) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL29654971 0.77 BRD4 (0.40) RAB9ATSHRHSD17B10SMN1; SMN2TP53
SCHEMBL12145167 0.76 L3MBTL1 (0.39) TSHRHSD17B10TP53XDHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186454-B1 6-PURINYL N-(2-CHLOROETHYL) CARBAMATE AND THIOCARBAMATE, A PROCESS FOR THEIR PREPARATION AND USE THEREOF SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1992-04-08 — — EP disclosed
EP-0186454-A2 6-Purinyl N-(2-chloroethyl) carbamate and thiocarbamate, a process for their preparation and use thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-07-02 — — EP disclosed
Send feedback