SCHEMBL8664019

SCHEMBL8664019

CSc1ccccc1C1(C2(c3ccccc3SC)N=C(c3ccc(C(=O)Oc4ccccc4)cc3)C(c3ccc(C(=O)Oc4ccccc4)cc3)=N2)N=C(c2ccc(C(=O)Oc3ccccc3)cc2)C(c2ccc(C(=O)Oc3ccccc3)cc2)=N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 5/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PARP10 Q53GL7 1/20 0.39
TMPRSS15 P98073 2/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
NSD2 O96028 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 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
SCHEMBL8668402 0.86 RAB9A (0.48) MAPTALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL2494165 0.84 MAPT (0.42) MAPTALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL8665762 0.83 PDK2 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8667367 0.82 KMT2A (0.46) MAPTALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL2492052 0.82 MAPT (0.41) MAPTALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL2496334 0.81 PARP10 (0.41) MAPTALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL2495232 0.81 PARP10 (0.41) MAPTALDH1A1KMT2ASMN1; SMN2PARP10
SCHEMBL2497219 0.80 PARP10 (0.40) MAPTALDH1A1KMT2ASMN1; SMN2PARP10
SCHEMBL8665293 0.79 ALDH1A1 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8665764 0.78 MYC (0.47) MAPTALDH1A1KMT2APKMSMN1; 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
US-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed