SCHEMBL11244852

SCHEMBL11244852

CN=C(NC)NC(=O)C(Br)c1c(Cl)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RAF1 P04049 1/20 0.30
DOT1L Q8TEK3 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA5 P08648 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL11263022 1.00 POLB (0.34) POLBKMT2ASMN1; SMN2L3MBTL1RAF1
SCHEMBL11249698 0.73 CYP1A2 (0.38) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11247962 0.72 GLS (0.40) POLBKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL11242343 0.70 ADRA2A (0.36) POLBKMT2ADOT1LALDH1A1MEN1
SCHEMBL5179498 0.69 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL9125705 0.68 KMT2A (0.40) KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL11558226 0.68 POLB (0.68) POLB
SCHEMBL11247894 0.67 TSHR (0.42) KMT2AALDH1A1MEN1
SCHEMBL11241971 0.67 ALDH1A1 (0.41) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11559814 0.66 POLB (0.40) POLBKMT2AL3MBTL1ALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318915-A Substituted guandines and methods of preparation thereof BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
US-4318915-A Substituted guandines and methods of preparation thereof BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed