SCHEMBL11518974

SCHEMBL11518974

CCOc1cccc(Nc2cccc(OCC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PTK6 Q13882 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 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
SCHEMBL7986906 0.94 MAPT (0.54) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL11191264 0.89 MTNR1B (0.52) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL27587753 0.88 CYP3A4 (0.59) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL8306841 0.86 APP (0.58) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL9502179 0.85 SYK (0.47) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL27926957 0.84 TP53 (0.53) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL27934212 0.84 HTT (0.55) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL4050094 0.84 TP53 (0.63) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL146848 0.84 TP53 (0.53) SYKTP53CYP3A4KMT2AMEN1
SCHEMBL10411688 0.83 SYK (0.58) SYKTP53CYP3A4KMT2AMEN1

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-4144260-A Production of aluminum salts of N-nitroso-N-alkyl-hydroxylamines BASF AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4082749-A FROM CARBOXAMIDES AND ALKALI METAL HYPOCHLORITE, CATALYST BASF AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed