SCHEMBL25699280

SCHEMBL25699280

Cc1nc2cc(NI)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 4/20 0.54
TP53 P04637 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
PKM P14618 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
POLB P06746 3/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7022198 0.84 KMT2A (0.64) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL16860869 0.82 KMT2A (0.62) KMT2ASMN1; SMN2ALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL28888276 0.81 KMT2A (0.60) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL25767652 0.79 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL12233592 0.79 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL12510067 0.79 KMT2A (0.59) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL24862884 0.78 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL5798843 0.78 RAB9A (0.65) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL4011536 0.77 LDHA (0.78) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL1133153 0.76 SMN1; SMN2 (0.57) KMT2ASMN1; SMN2ALDH1A1LMNATP53

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-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed