SCHEMBL7684116

SCHEMBL7684116

CCC(C)(NC(=O)c1cccc(N)c1)C(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 2/20 0.42
KDM4C Q9H3R0 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ANO1 Q5XXA6 2/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8065593 0.85 ESRRG (0.45) ALDH1A1KDM4ESMN1; SMN2PTGS1LMNA
SCHEMBL8048418 0.83 CACNA1H (0.37) ANO1
SCHEMBL8048361 0.83 POLB (0.36) KDM4EMEN1KMT2AHDAC1ANO1
SCHEMBL8060073 0.82 ESR1 (0.40) ALDH1A1SMN1; SMN2NPSR1LMNAMEN1
SCHEMBL7686305 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL7527475 0.80 HSD11B1 (0.38) ALDH1A1KDM4ENPSR1ADRB2ADRB1
SCHEMBL8048655 0.80 HTT (0.33) ALDH1A1SMN1; SMN2NPSR1LMNAANO1
SCHEMBL8063598 0.79 ANO1 (0.34) ANO1HTT
SCHEMBL8048369 0.78 HDAC1 (0.46) HDAC1ANO1NPC1HTTRAB9A
SCHEMBL8063596 0.78 HTT (0.32) HDAC1ANO1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1136451-C Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ��ũҵ��ѧ��˾ 2004-01-28 CN disclosed
US-6500405-B1 EVALUATING THE SENSITIVITY OF A TEST CELL POPULATION TO AN ANTITUBULIN COMPOUND COMPRISING INCUBATING CELLS OR CELL EXTRACTS WITH AN AMIDE PROBE IN THE PRESENCE AND ABSENCE OF AN ANTITUBULIN TEST COMPOUND DOW AGROSCIENCES LLC 2002-12-31 US disclosed
US-6140362-A INHIBITING MAMMALIAN CELL GROWTH IN BENIGN OR MALIGNANT TUMORS COMPRISING TREATING SAID CELLS WITH AN EFFECTIVE AMOUNT OF A N-ACETONYLARYLAMIDES COMPOUND ROHM AND HAAS COMPANY (US) 2000-10-31 US disclosed
EP-0843018-B1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 2000-07-05 EP disclosed
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
CN-1211736-A Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 1999-03-24 CN disclosed
EP-0843018-A1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM AND HAAS COMPANY (US) 1998-05-20 EP disclosed
EP-0834311-A1 Method for inhibiting the growth of mammalian cells ROHM AND HAAS COMPANY (US) 1998-04-08 EP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed