SCHEMBL6977566

SCHEMBL6977566

Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.62
HSF1 Q00613 1/20 0.62
MAPK14 Q16539 8/20 0.60
SMO Q99835 2/20 0.60
CSF1R P07333 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
PABPC1 P11940 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.55
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL6971304 0.93 BRAF (0.65) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL6979946 0.90 MAPK14 (0.74) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL5897251 0.88 BRAF (0.76) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL1680575 0.88 PABPC1 (0.72) RAB9ANPC1SMN1; SMN2PABPC1POLB
SCHEMBL1680510 0.88 RAB9A (0.64) RAB9ANPC1SMN1; SMN2PABPC1POLB
SCHEMBL6975716 0.85 BRAF (0.72) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL7827201 0.84 MAPK14 (0.65) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL6979731 0.83 MAPK14 (0.69) BRAFHSF1MAPK14SMOCSF1R
SCHEMBL5897048 0.83 BRAF (0.71) BRAFHSF1CSF1RRAB9ANPC1
SCHEMBL1681165 0.83 NR1H4 (0.62) RAB9ANPC1SMN1; SMN2PABPC1POLB

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
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed