SCHEMBL5339441

SCHEMBL5339441

N=C(S)NCc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX12 P18054 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CXCR3 P49682 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
CYP3A4 P08684 1/20 0.34
IDO1 P14902 1/20 0.34
TPSAB1 Q15661 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 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
SCHEMBL5064965 0.79 MEN1 (0.59) MEN1KMT2AALOX12POLBGAA
SCHEMBL18401332 0.79 CYP2C9 (0.41) CA12CA1CA2CA7MEN1
SCHEMBL10426536 0.79 TGM2 (0.50) CA12CA1CA2CA7MEN1
SCHEMBL1230271 0.78 ALOX12 (0.56) CA12CA1CA2MEN1KMT2A
Hydrochloric Acid SCHEMBL4799470 0.78 MEN1 (0.57) MEN1KMT2AALOX12POLBGAA
Hydrochloric Acid SCHEMBL4798435 0.78 NPC1 (0.53) MEN1KMT2APOLBGAAMAPT
Hydrochloric Acid SCHEMBL4003812 0.77 ALOX12 (0.54) CA12CA1CA2MEN1KMT2A
SCHEMBL5793985 0.75 ALDH1A1 (0.62) MEN1KMT2AALOX12POLBMAPT
SCHEMBL850732 0.75 LOXL2 (0.55) CA12CA1CA2CA7MEN1
Hydrochloric Acid SCHEMBL10951495 0.73 HTT (0.49) GAAMAPTALDH1A1

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
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO disclosed