SCHEMBL21233552

SCHEMBL21233552

CNN(C)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALOX15 P16050 2/20 0.58
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
MPI P34949 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL3887904 0.82 RAB9A (0.58) TSHRALOX15NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28519023 0.81 RAB9A (0.57) TSHRALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10603259 0.79 RAB9A (0.55) TSHRALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL30442434 0.79 RAB9A (0.55) TSHRALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL13763546 0.79 NPC1 (0.59) TSHRALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL10626311 0.77 ALOX15 (0.50) TSHRALOX15NPC1RAB9ASMN1; SMN2
Methabenzthiazuron SCHEMBL66434 0.77 ALOX15 (0.69) TSHRALOX15NPC1RAB9ASMN1; SMN2
Methabenzthiazuron SCHEMBL29549492 0.77 ALOX15 (0.69) TSHRALOX15NPC1RAB9ASMN1; SMN2
Methabenzthiazuron SCHEMBL8537244 0.77 ALOX15 (0.69) TSHRALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL25474647 0.76 RAB9A (0.53) TSHRALOX15NPC1RAB9ASMN1; SMN2

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-2019151263-A1 METHOD FOR PRODUCING 1,1-DISUBSTITUTED HYDRAZINE COMPOUND AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND 日本ゼオン株式会社 2019-08-08 WO disclosed