SCHEMBL31092016

SCHEMBL31092016

NC(=O)c1ccc(I)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
SIRT6 Q8N6T7 2/20 0.45
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
VNN1 O95497 1/20 0.41
LCK P06239 1/20 0.40
NAMPT P43490 1/20 0.39
NNMT P40261 2/20 0.38
GSK3B P49841 1/20 0.38
P4HTM Q9NXG6 2/20 0.38
P4HA1 P13674 1/20 0.38
MIF P14174 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APP P05067 2/20 0.36
PDE4A P27815 1/20 0.35

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
SCHEMBL3376769 1.00 KMT2A (0.53) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL3630126 0.80 P4HTM (0.59) KMT2ATSHRP4HTMP4HA1MIF
SCHEMBL13664453 0.78 ALDH1A1 (0.47) KMT2ATSHRP4HTMP4HA1MIF
SCHEMBL15149676 0.78 PRMT1 (0.45) KMT2A
SCHEMBL4768283 0.77 KMT2A (0.57) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL978974 0.76 NNMT (0.63) KMT2ASIRT6VNN1NNMTP4HTM
SCHEMBL3163574 0.76 KMT2A (0.55) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL1831265 0.76 KMT2A (0.55) KMT2ASIRT6ADORA3TSHRMC4R
SCHEMBL20254702 0.75 SLC22A2 (0.33) KMT2A
SCHEMBL171039 0.74 KMT2A (0.53) KMT2ASIRT6ADORA3TSHRMC4R

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-2024219794-A1 SUBSTITUTED ACETYLENE COMPOUND DERIVATIVES AND THEIR PHARMACEUTICAL USE AVELOS THERAPEUTICS INC. (KR) 2024-10-24 WO disclosed