SCHEMBL6444110

SCHEMBL6444110

COc1ccc(/C=N/NC(=O)C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
POLB P06746 3/20 0.69
RAB9A P51151 3/20 0.63
MAOA P21397 1/20 0.60
MEN1 O00255 1/20 0.59
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MIF P14174 1/20 0.56
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL6444113 1.00 CYP1A2 (0.71) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL19449690 0.85 CYP1A2 (0.78) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL17560844 0.85 CYP1A2 (0.78) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL29659678 0.83 CYP1A2 (0.76) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL2491390 0.83 CYP1A2 (1.00) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL2491393 0.83 CYP1A2 (1.00) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL2488962 0.83 MIF (0.74) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL2488965 0.83 MIF (0.74) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL28632043 0.82 CYP1A2 (0.73) CYP1A2KMT2ASMN1; SMN2POLBRAB9A
SCHEMBL17560740 0.82 CYP1A2 (0.73) CYP1A2KMT2ASMN1; SMN2POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184412-B1 Rubber composition and heavy duty pneumetic tire using the rubber composition BRIDGESTONE CORP (JP) 2005-01-12 EP disclosed
US-6822027-B2 MODIFIED STYRENE-BUTADIENE COPOLYMER RUBBER THAT HAS A TIN ATOM, NATURAL RUBBER OR SYNTHETIC ISOPRENE RUBBERS, AND A HYDRAZIDE COMPOUND. BRIDGESTONE CORPORATION (JP) 2004-11-23 US disclosed
US-20020049294-A1 Rubber composition and heavy duty pneumatic tire using the rubber composition BRIDGESTONE CORPORATION 2002-04-25 US disclosed
EP-1184412-A1 Rubber composition and heavy duty pneumetic tire using the rubber composition Bridgestone Corporation (JP) 2002-03-06 EP disclosed