SCHEMBL11575433

SCHEMBL11575433

Nc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
JAK2 O60674 2/20 0.62
JAK1 P23458 2/20 0.62
PKM P14618 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
TYK2 P29597 1/20 0.61
FADS1 O60427 2/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
HTT P42858 1/20 0.56
HDAC8 Q9BY41 1/20 0.55
P2RX1 P51575 3/20 0.54
PTGS1 P23219 1/20 0.52

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
SCHEMBL11573774 0.88 SMN1; SMN2 (0.60) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11775702 0.88 ALDH1A1 (0.58) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL29929613 0.87 JAK2 (0.78) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11575341 0.86 ALDH1A1 (0.69) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11850758 0.86 NPC1 (0.51) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11706082 0.85 ALDH1A1 (0.61) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11177948 0.85 ABL1 (0.65) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL11574336 0.83 NPC1 (0.59) LMNAPOLBSMN1; SMN2PKMMEN1
SCHEMBL11591135 0.82 ALDH1A1 (0.61) ALDH1A1LMNAPOLBSMN1; SMN2JAK2
SCHEMBL16441856 0.82 SMN1; SMN2 (0.72) ALDH1A1LMNAPOLBSMN1; SMN2JAK2

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-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 US disclosed