SCHEMBL7548885

SCHEMBL7548885

Cc1cc(N2CCCC2=O)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
BRD9 Q9H8M2 1/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 3/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
RAD52 P43351 1/20 0.46

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
SCHEMBL76032 0.95 BRD9 (0.57) HSD17B10LMNAKMT2AALDH1A1KDM4E
Sulfuric Acid SCHEMBL8372990 0.93 LMNA (0.59) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL30104761 0.87 HSD17B10 (0.59) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL6028329 0.87 HSD17B10 (0.59) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL12051770 0.86 PKM (0.60) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL8144111 0.85 LMNA (0.57) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL30731240 0.85 LMNA (0.57) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL15157023 0.84 ALDH1A1 (0.54) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL7812949 0.82 LMNA (0.54) HSD17B10LMNAKMT2AALDH1A1KDM4E
SCHEMBL7814371 0.82 ALDH1A1 (0.58) HSD17B10LMNAKMT2AALDH1A1KDM4E

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-2002044284-A1 TRISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO disclosed