SCHEMBL11325593

SCHEMBL11325593

CCCCCCc1nc(N)sc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
DHFR P00374 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
CXCR1 P25024 1/20 0.32

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
SCHEMBL1101351 0.98 ALDH1A1 (0.39) ALDH1A1DHFRMAPTRAB9AKCNH2
SCHEMBL11326258 0.94 ALDH1A1 (0.37) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10887538 0.80 MAPT (0.38) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL7186350 0.73 ALDH1A1 (0.41) ALDH1A1DHFRRAB9AKDM4ESMN1; SMN2
SCHEMBL9457581 0.72 KCNH2 (0.45) ALDH1A1MAPTRAB9AKCNH2KDM4E
SCHEMBL27913052 0.72 ALDH1A1 (0.39) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL16498140 0.70 ALDH1A1 (0.44) ALDH1A1DHFRRAB9AKCNH2KDM4E
SCHEMBL11338473 0.70 GABRP (0.45) ALDH1A1DHFRMAPT
SCHEMBL27892818 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27912797 0.69 ALDH1A1 (0.33) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1

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-4252530-A USING A BASE AS DISCHARGE AGENT IN A DISCHARGE RESIST PASTE AND HEATING CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed