SCHEMBL9240496

SCHEMBL9240496

CCCCCCCCCCC1C(=O)NCCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
HLCS P50747 2/20 0.42
CCR2 P41597 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 3/20 0.40
NAAA Q02083 4/20 0.39
FAAH O00519 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL9238882 0.94 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9240195 0.94 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL572791 0.85 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL31073953 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1MAPTPKM
Hydrochloric Acid SCHEMBL2722732 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8521962 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL2580220 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL21496215 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL6381412 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9885892 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632889-A4 PHOSPHATE SELECTIVE COMPOSITION AND ELECTRODE. C & R APPROACHES INC (US) 1995-05-31 EP disclosed
EP-0632889-A1 PHOSPHATE SELECTIVE COMPOSITION AND ELECTRODE C & R APPROACHES, INC (US) 1995-01-11 EP disclosed
WO-1993019361-A1 PHOSPHATE SELECTIVE COMPOSITION AND ELECTRODE C & R APPROACHES, INC. (US) 1993-09-30 WO disclosed
US-5240573-A Nitrogen heterocyclic ionophore, solvating compound, support matrix; selective for dibasic phosphate anion C & R APPROACHES, INC. (US) 1993-08-31 US disclosed
US-5180481-A Cyclic nitrogen compound C & R APPROACHES, INC. 1993-01-19 US disclosed