SCHEMBL960115

SCHEMBL960115

CC(C)Nc1ccccc1C(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 5/20 0.45
P2RX7 Q99572 1/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NCOA1 Q15788 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL24016742 0.85 CTSD (0.46) CTSDCA1CA2CA9ALDH1A1
SCHEMBL18893268 0.84 ALDH1A1 (0.59) ALDH1A1PKMKDM4EHTTMEN1
SCHEMBL21454987 0.84 GAA (0.52) ALDH1A1PKMKDM4EHTTGAA
SCHEMBL2104582 0.81 KDM4E (0.50) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL960781 0.79 KDM4E (0.58) CTSDCA1CA2CA9ALDH1A1
SCHEMBL31552440 0.79 AKR1C3 (0.46) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1899962 0.79 KMT2A (0.54) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL12411070 0.79 AKR1C3 (0.46) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL12963990 0.78 TP53 (0.42) ALDH1A1PKMKDM4EHTTMEN1
SCHEMBL10037117 0.77 ERCC5 (0.41) ALDH1A1KDM4EHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261300-B Comprise hydrazides, hydrazone and polyamines based on natural rubber and the compositions of white carbon black 米其林集团总公司 2016-08-10 CN disclosed
EP-2248833-B1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE BRIDGESTONE CORP (JP) 2014-03-26 EP disclosed
CN-102099380-B Modified diene rubber, method for producing same, rubber composition using same, and tire BRIDGESTONE CORP 2014-03-12 CN disclosed
US-20130289165-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-10-31 US disclosed
US-8389641-B2 Modified diene rubber, production method thereof, and rubber composition and tire using the rubber BRIDGESTONE CORPORATION (JP) 2013-03-05 US disclosed
US-20110003911-A1 MODIFIED DIENE RUBBER, PRODUCTION METHOD THEREOF, AND RUBBER COMPOSITION AND TIRE USING THE RUBBER BRIDGESTONE CORPORATION (JP) 2011-01-06 US disclosed
EP-2248833-A1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE Bridgestone Corporation (JP) 2010-11-10 EP disclosed
US-20100249336-A1 MODIFIED NATURAL RUBBER AND METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION AND TIRE USING SUCH A MODIFIED NATURAL RUBBER BRIDGESTONE CORPORATION (JP) 2010-09-30 US disclosed
EP-2206730-A1 MODIFIED NATURAL RUBBER, PROCESS FOR PRODUCTION OF THE SAME, AND RUBBER COMPOSITION AND TIRE EACH COMPRISING THE SAME Bridgestone Corporation (JP) 2010-07-14 EP disclosed