SCHEMBL25872154

SCHEMBL25872154

O=C(Nc1cccc(I)c1)c1cccnc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 1/20 0.57
GFER P55789 1/20 0.56
KDM4E B2RXH2 2/20 0.55
HTT P42858 3/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MDM4 O15151 1/20 0.49
MITF O75030 1/20 0.49
MDM2 Q00987 1/20 0.49
ATM Q13315 1/20 0.49
GPR35 Q9HC97 1/20 0.49

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
SCHEMBL16007625 0.86 MEN1 (0.76) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30928885 0.84 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29250728 0.84 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30928884 0.84 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23367919 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1814793 0.82 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1805499 0.82 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12300199 0.82 PRKCI (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2106811 0.81 MEN1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28004406 0.81 KMT2A (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; 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
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 EP disclosed